data_2dk9_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 2dk9 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.799 0.333 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.7 -46.87 86.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.39 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -70.31 -31.67 69.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.704 0.288 . . . . 0.0 111.051 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 20.8 mt -74.31 -48.56 27.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.79 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mt -63.45 -36.08 82.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -65.95 -44.38 85.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.431 ' CE2' ' CD2' ' A' ' 103' ' ' HIS . 87.2 t90 -67.73 -36.62 80.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.0 t -65.28 -45.43 84.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -63.33 -36.92 85.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.96 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.28 -45.64 79.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.802 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.78 -34.48 77.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 m -87.93 7.34 31.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.536 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.46 125.24 30.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.828 0.347 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.15 -31.52 1.95 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -76.84 121.43 84.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.577 0.227 . . . . 0.0 110.754 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.11 56.36 3.09 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.55 2.166 . . . . 0.0 112.707 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.99 36.29 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.654 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.3 t -138.08 120.84 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.86 125.82 53.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.73 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -121.75 91.07 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.287 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.7 m -148.62 21.4 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.14 140.5 39.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.744 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.36 37.81 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.914 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.6 m -164.49 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.159 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -39.04 74.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.375 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.3 m -54.87 -26.5 35.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.32 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -102.42 5.19 39.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.527 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.85 -60.97 2.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.761 0.315 . . . . 0.0 111.23 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.8 p30 -83.58 3.35 32.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.461 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.06 30.32 61.31 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.619 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.56 -46.03 41.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.68 0.276 . . . . 0.0 111.071 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.37 -47.18 87.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -45.38 78.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.994 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.5 m -63.93 -42.62 97.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.23 81.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.22 -50.84 51.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 t -57.94 -46.8 87.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.435 ' CG ' ' HG3' ' A' ' 52' ' ' PRO . 49.2 t80 -58.4 -37.99 76.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.952 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -37.73 88.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.422 ' HG ' ' CE1' ' A' ' 106' ' ' PHE . 4.4 mm? -77.12 -42.03 39.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.46 76.97 74.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 36.0 Cg_endo -65.18 -27.18 56.73 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.539 2.159 . . . . 0.0 112.19 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.77 3.28 77.78 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.718 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mt -136.47 28.89 3.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.765 0.317 . . . . 0.0 111.112 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -143.28 163.72 32.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.0 0.429 . . . . 0.0 111.114 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -147.81 65.1 8.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.54 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.435 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 12.1 Cg_endo -55.52 -52.37 7.8 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.757 2.305 . . . . 0.0 112.496 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.89 -29.62 42.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.428 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 70.5 tt0 -71.51 -50.1 34.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.346 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -84.3 -9.6 58.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.853 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.56 -38.5 84.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.858 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -115.55 -25.92 3.56 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.875 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.428 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 1.6 mp -49.25 -34.19 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.728 0.299 . . . . 0.0 111.343 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.28 155.53 7.9 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.852 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.78 -55.19 5.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.979 0.418 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.7 mt -58.48 -40.1 81.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.31 -39.11 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.53 95.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.4 m -67.35 -50.6 59.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.56 96.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.305 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.413 ' CZ3' HG22 ' A' ' 70' ' ' VAL . 33.8 t90 -66.91 -50.04 63.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.95 95.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.7 mt -66.16 -41.36 90.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.63 -48.48 63.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.945 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.413 HG22 ' CZ3' ' A' ' 66' ' ' TRP . 27.1 m -68.45 -40.44 82.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.051 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.64 75.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.093 0.473 . . . . 0.0 110.244 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.472 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 45.9 tt0 -69.8 -37.43 76.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.444 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -71.02 -41.34 70.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.569 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.06 -42.32 21.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.088 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.77 -42.41 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 103.97 19.66 11.55 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.52 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.9 mm -95.78 116.06 36.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.862 0.363 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.9 m -74.31 132.96 78.3 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.9 148.54 37.5 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.572 2.181 . . . . 0.0 112.314 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.2 t -113.21 -25.02 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.253 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.97 158.34 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.98 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -75.84 154.63 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.51 98.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -55.88 -44.0 77.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.04 84.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.0 t -63.77 -51.12 73.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.17 -33.91 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.04 -13.5 52.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.572 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.63 32.29 83.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.8 p -102.31 36.45 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.67 70.42 4.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -62.04 -42.74 28.2 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.654 2.236 . . . . 0.0 112.056 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.44 -35.83 82.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.807 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.67 -39.8 28.5 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.654 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -43.49 93.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.755 0.312 . . . . 0.0 111.0 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 pp -67.7 -41.12 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.016 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.14 96.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -61.41 -44.64 96.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 mt -58.11 -34.33 70.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.662 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.2 m -64.61 -38.3 90.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.676 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.47 -43.67 93.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.405 ' O ' ' CD2' ' A' ' 106' ' ' PHE . 21.0 m-85 -68.21 -37.87 81.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.709 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.431 ' CD2' ' CE2' ' A' ' 12' ' ' TRP . 11.9 t-160 -67.6 -45.47 75.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.85 -37.31 73.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.422 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 1.4 m-85 -87.19 -33.65 19.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.9 tptt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.943 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.823 0.344 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -65.49 -38.99 91.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.054 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -62.46 -46.47 88.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.005 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -36.48 76.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.55 -46.18 87.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -66.28 -32.41 73.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.058 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.447 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 52.4 t90 -67.82 -49.47 62.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.898 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -45.4 92.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -43.39 98.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.29 -45.78 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 110.698 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -70.76 -28.51 64.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.1 m -88.1 7.5 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.44 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.65 140.99 31.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.793 0.33 . . . . 0.0 111.11 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.41 -24.53 3.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.612 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -86.1 145.11 39.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.675 0.274 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.21 62.76 1.46 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.555 2.17 . . . . 0.0 112.344 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.02 39.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.291 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -88.89 120.8 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.024 0.44 . . . . 0.0 111.027 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -144.08 38.61 1.31 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.599 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.24 97.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.301 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.2 m -146.16 20.84 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -138.22 146.94 43.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.528 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mp -99.66 39.38 1.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.03 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -169.58 -80.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.386 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.6 t -57.83 -24.22 56.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.52 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.5 t -68.47 -31.97 71.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.34 . . . . 0.0 111.091 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.417 ' CE2' HD23 ' A' ' 95' ' ' LEU . 13.8 m95 -94.12 14.62 19.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.43 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.43 -56.52 19.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.788 0.328 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -86.49 0.7 53.69 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.363 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.34 36.79 79.13 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.736 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.96 -36.69 62.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 111.197 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.66 -47.1 67.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.509 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.9 tp -64.03 -46.19 85.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.212 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 74.9 m -70.35 -39.02 74.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.904 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.57 -39.73 73.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 110.998 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.16 -52.38 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.9 t -59.2 -36.36 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -66.19 -37.95 86.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.853 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.68 -42.58 99.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.554 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.406 HD22 ' CE2' ' A' ' 106' ' ' PHE . 4.0 mm? -80.45 -35.56 34.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.417 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -141.93 92.05 7.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.419 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.62 -50.88 2.15 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.571 2.181 . . . . 0.0 112.365 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.21 -17.64 56.33 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.61 -66.45 0.39 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.627 0.251 . . . . 0.0 111.435 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.425 HD22 ' CE3' ' A' ' 66' ' ' TRP . 0.7 OUTLIER -135.23 157.64 46.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.969 0.414 . . . . 0.0 111.378 -179.566 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -108.01 81.24 1.19 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.527 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HB3' ' HB3' ' A' ' 39' ' ' CYS . 9.8 Cg_endo -51.69 -30.77 38.39 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.778 2.319 . . . . 0.0 112.589 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -48.65 71.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.913 0.387 . . . . 0.0 111.159 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -50.14 35.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.711 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 50.8 mt -70.99 -10.2 59.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.88 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.85 -39.93 90.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.7 0.286 . . . . 0.0 111.324 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.34 -18.22 5.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.745 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.96 -32.01 61.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.841 0.353 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.11 132.23 1.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.478 -0.867 . . . . 0.0 112.552 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.1 -65.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.329 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.89 -37.46 84.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -45.29 92.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.15 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.78 -43.75 95.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.178 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -50.64 60.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.354 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.78 94.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.441 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.425 ' CE3' HD22 ' A' ' 50' ' ' LEU . 1.6 t90 -67.03 -37.91 84.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.53 -42.37 71.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.556 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.77 -42.91 76.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.682 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -69.06 -48.53 62.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.563 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.421 HG21 ' CE3' ' A' ' 66' ' ' TRP . 40.7 t -68.57 -44.55 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.207 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.22 -39.5 69.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.159 0.504 . . . . 0.0 109.922 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -37.02 75.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.251 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.99 -42.14 58.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.701 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -42.59 19.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.08 -30.25 21.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.55 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.07 26.84 32.89 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.9 tt -107.37 126.28 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -74.24 135.31 76.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.031 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.65 158.87 18.53 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.528 2.152 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.54 -26.15 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.453 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.7 p -144.36 158.79 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.4 m -77.91 146.34 35.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.006 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.32 -43.7 92.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -54.8 -38.32 67.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.047 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.36 -41.07 81.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.87 -48.9 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.282 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 p -61.32 -34.71 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.277 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.08 -13.45 53.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.543 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.43 27.04 60.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.546 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.9 m -103.83 30.9 4.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.959 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -159.83 70.76 3.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.01 -41.44 36.46 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.618 2.212 . . . . 0.0 112.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.25 -36.22 72.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.44 -39.85 49.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.615 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.417 HD23 ' CE2' ' A' ' 32' ' ' TRP . 0.7 OUTLIER -61.16 -43.08 99.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.659 0.266 . . . . 0.0 110.95 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.8 mm -67.24 -41.21 86.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.93 -39.09 80.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -69.39 -42.3 75.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.91 -34.49 77.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.9 m -59.67 -41.06 89.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -44.81 68.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.475 ' CD2' ' CE1' ' A' ' 106' ' ' PHE . 0.2 OUTLIER -68.31 -41.58 80.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -65.48 -43.59 89.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 m -65.58 -38.48 89.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.97 -37.27 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.475 ' CE1' ' CD2' ' A' ' 102' ' ' PHE . 3.2 m-85 -65.81 -32.56 74.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.4 mttt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.95 179.918 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.792 0.33 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -46.82 86.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -66.28 -31.7 72.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.009 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.74 -48.72 73.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.49 -35.46 80.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.82 -44.19 94.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.497 ' CZ2' ' CD2' ' A' ' 103' ' ' HIS . 58.3 t90 -67.67 -47.36 69.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.73 -45.46 94.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.045 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -62.75 -34.91 78.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -66.4 -45.52 79.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.779 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.412 ' HG3' ' CZ3' ' A' ' 12' ' ' TRP . 13.4 mm-40 -67.7 -35.13 78.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.22 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.9 t -87.32 7.45 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.44 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.78 136.68 36.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.881 0.372 . . . . 0.0 111.071 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.32 -35.6 2.47 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -70.09 136.46 87.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.544 0.211 . . . . 0.0 110.791 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.68 107.21 2.41 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.505 2.137 . . . . 0.0 112.447 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.07 -24.79 15.46 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.343 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.46 120.6 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.915 0.388 . . . . 0.0 111.196 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -134.56 71.89 1.45 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.665 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.6 t -68.89 106.73 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.389 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.3 m -151.73 21.03 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.945 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -138.35 148.58 44.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.742 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.35 35.95 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.052 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -163.78 -69.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.8 0.333 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -46.08 91.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.6 m -52.67 -26.19 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.538 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.415 ' CE3' ' HB2' ' A' ' 37' ' ' ALA . 21.2 m95 -102.89 -2.01 28.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.676 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.96 -47.82 64.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.673 0.273 . . . . 0.0 111.475 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -95.33 -6.96 39.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.332 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.72 36.25 26.32 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.565 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.0 -39.96 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.733 0.301 . . . . 0.0 111.117 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.415 ' HB2' ' CE3' ' A' ' 32' ' ' TRP . . . -62.14 -47.32 85.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.318 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -42.36 74.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.8 m -64.15 -48.69 75.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.86 -42.67 80.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.318 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.64 -51.74 68.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.027 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 t -61.66 -49.62 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.229 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -57.95 -37.96 75.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.058 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -63.09 -40.07 96.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.178 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.455 ' CD2' ' CZ ' ' A' ' 106' ' ' PHE . 3.8 mm? -83.18 -36.52 24.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.168 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -138.87 70.74 42.85 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.65 -26.32 16.45 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.544 2.163 . . . . 0.0 112.136 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.24 -7.8 88.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.808 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.1 mt -124.6 23.33 8.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.708 0.289 . . . . 0.0 111.228 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.74 162.73 38.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.503 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 19.6 mt-10 -148.21 46.75 0.47 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 18.7 Cg_endo -60.01 -17.52 45.23 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.485 2.124 . . . . 0.0 112.669 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -41.64 67.36 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.945 0.402 . . . . 0.0 110.571 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.81 -49.31 39.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.687 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.35 -10.17 56.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.963 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -60.57 -34.8 74.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.733 0.301 . . . . 0.0 110.944 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.94 -4.0 6.78 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.903 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.21 -29.6 57.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.29 141.5 3.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.0 -55.57 8.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 111.044 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.9 mt -58.73 -41.5 86.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.5 -46.82 84.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.55 -43.19 94.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.1 m -67.28 -50.66 59.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.56 -43.68 89.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.229 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -67.0 -48.53 68.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.03 94.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.264 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.31 -46.21 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -48.27 80.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.042 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.9 t -68.51 -40.1 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.001 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.26 77.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.612 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.466 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 11.1 pt-20 -70.1 -37.12 75.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.433 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.32 -41.02 77.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.535 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -80.78 -42.42 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mp -96.18 -37.43 10.57 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 97.34 23.01 15.24 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.421 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.408 HD11 ' CE1' ' A' ' 102' ' ' PHE . 18.2 mt -91.49 123.99 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.779 0.323 . . . . 0.0 111.229 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -74.14 119.97 79.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.02 148.23 39.89 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.473 2.115 . . . . 0.0 112.376 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.0 t -128.03 4.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.524 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.4 m -149.72 160.33 5.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 m -101.23 154.64 18.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.793 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -43.7 94.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -55.25 -40.99 71.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.035 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.56 -37.15 79.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.1 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.4 t -66.12 -51.0 64.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.34 -26.77 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.93 -13.6 53.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.521 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.5 27.19 47.48 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.645 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.88 42.34 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -144.6 62.61 9.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.02 -42.76 28.23 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.585 2.19 . . . . 0.0 112.343 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.4 mp -61.67 -38.36 87.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.15 -38.88 38.63 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.17 -43.26 99.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.3 mt -67.77 -45.88 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.73 92.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -63.41 -47.07 83.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.65 -32.85 73.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.781 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -43.67 96.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.86 -46.48 74.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.408 ' CE1' HD11 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -61.73 -38.98 89.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.706 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.497 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 14.4 t-160 -68.06 -41.53 81.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -43.94 88.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.9 -31.8 66.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.455 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 3.4 m-30 -73.96 -31.16 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.77 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.3 tttt . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.012 -179.836 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.853 0.359 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.21 -46.91 84.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.267 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -63.46 -31.47 72.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.169 -179.716 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 58.3 mt -67.93 -44.59 76.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.915 0.388 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.52 -34.81 78.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -65.31 -44.33 88.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.433 ' CD2' ' CD2' ' A' ' 103' ' ' HIS . 83.1 t90 -67.68 -40.31 84.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.737 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.94 -44.64 84.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -60.87 -41.29 95.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.3 -45.59 79.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.603 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 23.9 mm100 -67.15 -31.76 72.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.9 m -87.77 7.35 30.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.431 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.88 125.35 29.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.838 0.351 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.03 -28.41 1.13 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -88.93 121.4 69.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.476 0.179 . . . . 0.0 110.727 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.81 68.38 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.556 2.171 . . . . 0.0 112.62 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.46 -27.54 0.68 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.994 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.0 t -78.5 122.55 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.961 0.41 . . . . 0.0 111.387 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.52 116.92 17.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.445 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.4 t -96.77 88.4 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.585 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.15 18.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.981 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -138.2 140.66 39.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.552 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.98 37.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.051 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -159.66 -78.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.447 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 m -59.95 -39.69 86.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.382 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 t -52.53 -29.76 26.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.396 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.418 ' CH2' HD13 ' A' ' 99' ' ' LEU . 9.1 m95 -110.24 12.07 23.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.567 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.86 -57.13 13.83 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.745 0.307 . . . . 0.0 111.252 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -89.36 8.76 29.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.353 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.86 33.36 87.04 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.636 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -75.0 -36.03 61.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.779 0.323 . . . . 0.0 111.131 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.405 ' HB1' ' CE3' ' A' ' 32' ' ' TRP . . . -64.4 -47.16 80.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.178 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -45.82 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.61 84.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.799 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.2 -39.38 78.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.075 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.87 -50.51 41.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.8 t -60.51 -49.65 83.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.249 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 75.5 t80 -56.46 -37.91 70.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.068 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -62.86 -41.35 99.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' CD2' ' CE2' ' A' ' 106' ' ' PHE . 3.9 mm? -73.78 -38.31 64.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.783 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.14 72.27 60.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.796 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.418 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 37.9 Cg_endo -66.48 -27.42 46.59 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.515 2.143 . . . . 0.0 111.941 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.19 0.12 88.76 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.622 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.0 mt -130.76 29.34 4.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.714 0.292 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.44 177.13 10.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.971 0.415 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -163.48 63.06 1.19 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.495 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' GLN . 18.5 Cg_endo -58.67 -35.4 98.7 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.871 2.381 . . . . 0.0 112.676 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -54.28 -35.64 62.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.56 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -71.61 -49.93 35.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.472 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mt -81.41 -9.47 59.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.894 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -60.28 -33.63 72.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.632 0.253 . . . . 0.0 111.612 -179.085 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.16 -23.86 2.59 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.35 -0.928 . . . . 0.0 112.981 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 mp -56.47 -35.41 67.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.862 0.363 . . . . 0.0 111.145 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.66 147.74 6.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.62 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.41 -54.93 5.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.818 0.342 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.59 -41.9 91.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.33 -46.92 84.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.58 94.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.3 m -66.91 -50.71 61.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.006 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.58 96.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.401 ' CE3' HG23 ' A' ' 70' ' ' VAL . 46.8 t90 -67.04 -39.0 86.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.835 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.64 -37.3 73.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.204 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tp -64.67 -43.29 94.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.3 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -48.57 66.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.176 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.401 HG23 ' CE3' ' A' ' 66' ' ' TRP . 26.7 t -68.53 -40.2 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.102 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.09 -44.93 79.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.032 0.444 . . . . 0.0 110.239 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 2.4 tt0 -69.83 -37.44 76.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.473 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -71.72 -41.43 68.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.579 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -81.18 -42.39 20.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.927 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.38 -34.87 14.7 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 89.29 27.42 23.01 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.223 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 11.2 tt -106.65 126.6 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.3 . . . . 0.0 111.16 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.05 130.21 83.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.423 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 71.9 Cg_endo -76.68 142.28 22.79 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.618 2.212 . . . . 0.0 112.505 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.7 t -126.58 21.44 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 p -149.76 152.71 11.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.49 151.79 20.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.41 -43.62 96.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -54.91 -40.2 69.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.225 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.88 79.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.1 t -67.68 -47.92 78.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.362 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.5 p -61.34 -32.22 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.323 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.02 -13.63 52.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.585 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.36 24.15 36.62 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.608 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 p -107.54 42.87 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.955 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -158.2 70.24 3.93 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.99 -42.84 27.95 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.628 2.219 . . . . 0.0 112.298 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.32 -36.11 75.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.35 -42.91 33.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -43.17 99.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.303 . . . . 0.0 110.949 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.6 mt -67.79 -44.96 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.07 93.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 79' ' ' PRO . 5.3 t80 -69.13 -38.59 78.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.418 HD13 ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -58.24 -35.06 71.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.0 m -60.03 -44.24 94.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -45.0 89.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.802 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -40.59 96.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.742 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.433 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 34.0 t-80 -65.95 -45.96 79.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.0 t -59.59 -43.94 93.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.55 -44.35 64.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.449 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 3.4 m-85 -69.23 -27.84 65.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.976 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.83 0.347 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.53 -46.98 85.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 1.7 pt-20 -64.72 -31.43 72.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.962 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.443 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 55.0 tp -70.57 -48.49 55.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.916 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -34.87 78.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -65.57 -41.05 93.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.416 ' CH2' ' HG3' ' A' ' 16' ' ' GLN . 80.4 t90 -67.66 -44.88 76.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.2 t -59.79 -45.5 92.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.033 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -62.37 -37.5 85.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -45.73 80.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.416 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 24.5 mm-40 -66.99 -27.12 67.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -88.16 7.5 31.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.375 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.55 144.79 31.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.855 0.36 . . . . 0.0 111.051 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.55 -22.22 4.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.654 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 10.4 m-85 -92.11 132.65 31.92 Favored Pre-proline 0 C--N 1.33 -0.264 0 O-C-N 122.857 -0.202 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 18.4 Cg_exo -66.22 63.15 0.49 Allowed 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.597 2.198 . . . . 0.0 112.326 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.73 41.31 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.139 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.8 p -90.06 120.77 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 0.0 111.191 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -129.85 78.78 1.87 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.577 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 t -113.76 88.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.239 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.21 22.37 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 31' ' ' SER . 14.4 m-20 -138.12 148.98 45.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.644 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 mt -98.52 38.51 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.049 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 t -173.9 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.328 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -55.74 -26.45 45.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.65 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 14.9 t -68.43 -30.67 69.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.962 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -97.9 14.31 27.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.408 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.3 -57.41 11.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.835 0.35 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -86.5 -0.25 55.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.248 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.29 37.23 70.93 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.542 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.03 -35.96 61.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.671 0.272 . . . . 0.0 111.334 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.54 -47.44 75.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.824 0.345 . . . . 0.0 111.266 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.69 -38.55 77.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.416 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 2.9 m -67.49 -48.6 66.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.837 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.63 -41.08 73.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.229 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.2 mt -62.73 -50.21 71.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.94 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.0 t -60.82 -48.97 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 58.6 t80 -55.46 -37.92 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.004 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -43.14 99.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.445 ' CD2' ' CE2' ' A' ' 106' ' ' PHE . 4.2 mm? -74.73 -40.31 61.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.728 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.82 78.58 14.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.594 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.438 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 59.0 Cg_endo -72.21 -28.61 15.31 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.609 2.206 . . . . 0.0 112.396 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.72 -34.65 72.64 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.561 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.9 mt -95.5 22.02 7.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.652 0.263 . . . . 0.0 111.396 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.47 166.0 26.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.023 0.44 . . . . 0.0 111.198 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 3.2 mm-40 -156.99 49.4 0.38 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.509 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 17.9 Cg_endo -59.0 -18.39 42.83 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.708 2.272 . . . . 0.0 112.69 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.1 m -54.56 -44.64 73.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.028 0.442 . . . . 0.0 110.375 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.415 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 0.5 OUTLIER -71.73 -50.04 33.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.761 179.475 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mt -67.96 -9.97 49.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.684 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -39.8 89.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.671 0.272 . . . . 0.0 111.057 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.07 -9.94 6.49 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.88 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.415 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -68.5 -24.92 64.73 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.691 -0.299 . . . . 0.0 110.924 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.49 141.82 3.41 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.572 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.41 -59.56 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 111.002 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -37.51 82.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -64.62 -42.67 95.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.96 -43.65 95.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -66.09 -50.48 63.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.214 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 8.7 t90 -66.94 -47.88 70.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.02 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.3 84.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.32 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.35 -46.07 85.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.246 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.21 -48.46 73.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.16 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.5 m -68.54 -39.37 80.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.284 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.87 -46.32 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.615 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.41 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 8.2 pt-20 -69.79 -36.96 76.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.461 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -69.7 -41.0 75.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.541 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.83 -42.46 21.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mp -92.05 -32.24 15.26 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 89.11 28.68 19.81 Favored Glycine 0 CA--C 1.517 0.169 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.307 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.413 HG22 ' CE1' ' A' ' 101' ' ' HIS . 18.8 mt -107.41 123.62 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 111.13 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.4 m -74.77 129.06 84.28 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.6 149.75 38.37 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.465 2.11 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.8 t -127.03 1.5 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.705 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.9 m -145.74 160.33 12.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.748 0.308 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.12 156.33 19.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.826 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.57 91.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -63.93 -33.49 75.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.53 -46.25 70.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.423 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.1 p -70.34 -43.02 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.226 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.5 t -64.34 -39.19 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.01 -13.49 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.462 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.69 30.31 76.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.546 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 p -98.54 31.1 2.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.55 71.35 2.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -62.0 -42.15 32.08 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.586 2.191 . . . . 0.0 112.232 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.8 mt -58.23 -36.22 72.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.64 -42.83 45.85 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.572 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.1 -43.17 95.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 111.039 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 50.5 mt -67.88 -41.1 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.996 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.12 96.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -69.1 -41.47 77.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.38 -33.25 70.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.762 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t -62.99 -36.73 84.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.785 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.413 ' CE1' HG22 ' A' ' 77' ' ' ILE . 4.3 t-80 -70.31 -39.11 75.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.745 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.404 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 13.3 m-85 -68.14 -38.19 81.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -63.39 -48.49 77.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.2 m -59.36 -37.52 78.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.91 -40.57 39.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.445 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 3.2 m-85 -65.68 -31.59 72.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.691 0.281 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -46.8 86.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.21 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 3.8 pt-20 -65.62 -31.59 72.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.138 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 11.0 mt -67.43 -48.53 67.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.056 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -34.9 76.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.062 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -66.0 -40.74 91.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -67.6 -44.14 78.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.225 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.59 -45.6 93.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.076 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -66.18 -39.11 89.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.083 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.34 -45.57 79.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.805 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -68.74 -33.62 74.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.078 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.5 m -90.73 7.43 39.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.537 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.11 125.37 30.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.737 0.303 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.6 -32.34 2.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.675 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -76.82 121.31 84.58 Favored Pre-proline 0 C--N 1.33 -0.27 0 O-C-N 122.863 -0.198 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.73 117.23 4.45 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.489 2.126 . . . . 0.0 112.249 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.27 -26.94 15.2 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.417 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.44 120.49 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.976 0.417 . . . . 0.0 111.149 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.49 86.39 2.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.696 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.37 94.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.51 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.66 19.97 0.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -138.37 137.25 37.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.699 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 mt -94.27 36.74 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 t -163.5 -70.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.037 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -33.42 75.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 t -55.6 -24.17 31.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.439 ' CD1' ' N ' ' A' ' 32' ' ' TRP . 3.8 m95 -107.53 9.5 29.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.417 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.64 -60.92 2.7 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.747 0.308 . . . . 0.0 111.332 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.9 p30 -83.72 3.03 34.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.335 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.38 30.51 66.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.708 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -74.93 -35.15 62.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.855 0.36 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.71 -47.11 67.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.338 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.66 -46.11 83.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.051 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.0 m -69.21 -34.06 74.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.805 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.88 90.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 18.5 mt -70.21 -51.56 30.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 36.5 t -58.99 -43.35 88.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.453 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 68.8 t80 -60.15 -37.95 81.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -40.77 98.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.441 ' CD2' ' CE2' ' A' ' 106' ' ' PHE . 4.4 mm? -79.22 -46.35 18.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.857 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.68 79.99 51.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.662 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.453 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 48.6 Cg_endo -68.84 -29.42 28.58 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.543 2.162 . . . . 0.0 112.501 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.91 -32.59 66.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' A' ' 49' ' ' LEU . 2.7 mm? -97.19 25.2 5.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.61 0.243 . . . . 0.0 111.171 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.02 166.91 26.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 111.074 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -154.06 61.21 3.26 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.591 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 9.4 Cg_endo -51.85 -34.52 55.64 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.911 2.407 . . . . 0.0 112.404 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.13 -48.31 70.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -71.7 -50.21 32.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.225 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 58' ' ' LEU . 44.5 mt -64.61 -14.21 56.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.749 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -63.54 -39.79 95.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.56 -8.15 21.38 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.205 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -58.91 -31.55 68.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.823 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.23 155.74 6.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.525 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.87 -60.07 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.72 -37.53 82.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -46.77 67.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.053 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.79 93.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.28 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.2 m -67.2 -49.41 64.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.61 94.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.358 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -66.88 -50.16 63.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 111.127 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.78 98.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.37 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.0 mt -64.83 -42.25 95.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.169 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.53 -48.26 61.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.224 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.4 p -68.49 -43.55 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.152 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.08 75.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.011 0.434 . . . . 0.0 110.288 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 8.2 tt0 -69.8 -37.27 76.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.417 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -70.9 -41.38 71.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.479 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -80.99 -42.38 21.28 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.83 -40.83 9.53 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 103.84 17.06 17.66 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.624 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.1 mt -95.01 112.31 27.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.808 0.337 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.4 t -74.24 134.05 77.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.035 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.05 147.45 53.19 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.392 2.061 . . . . 0.0 112.322 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.2 -15.47 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.562 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.1 p -139.53 158.51 27.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.736 0.303 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.6 t -77.34 150.01 35.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.32 -43.59 97.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -36.52 74.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.81 -45.21 79.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.27 -51.07 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.1 t -62.75 -35.0 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.31 53.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.57 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.27 27.98 61.1 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.592 -0.814 . . . . 0.0 112.538 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 m -102.26 31.18 4.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -159.39 63.54 2.27 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.1 -42.32 65.57 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.536 2.158 . . . . 0.0 112.397 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -36.25 72.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.54 -39.71 68.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.556 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.03 -41.61 92.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.1 mm -67.74 -41.25 85.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.061 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.69 95.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -69.23 -45.08 70.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.41 -38.43 80.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -60.54 -36.83 79.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -73.58 -39.73 64.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.003 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -41.44 85.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -66.01 -41.66 90.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.51 -43.88 96.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.045 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.27 -44.36 59.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.441 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 3.9 m-85 -65.81 -24.2 66.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.103 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.057 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.814 0.34 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -62.56 -46.93 86.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.48 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 3.1 pt-20 -63.67 -31.68 72.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.034 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.41 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 72.4 mt -70.42 -48.63 55.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -39.84 95.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -59.67 -44.41 93.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.011 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.504 ' CZ2' ' CD2' ' A' ' 103' ' ' HIS . 80.5 t90 -65.01 -42.92 94.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -45.41 92.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -61.34 -35.2 76.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -45.56 80.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 37.5 mm-40 -69.26 -30.65 68.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.0 m -95.78 7.44 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.513 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.02 125.28 30.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.66 -27.74 1.48 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.582 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.409 ' CE1' ' HB3' ' A' ' 40' ' ' ALA . 25.4 m-85 -88.95 121.37 69.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.448 0.166 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -62.7 122.44 10.77 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.47 2.114 . . . . 0.0 112.295 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.43 -27.18 16.1 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.351 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.5 t -78.95 120.54 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.062 0.458 . . . . 0.0 111.059 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.47 72.12 1.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.512 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -63.77 92.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.444 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.1 20.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -138.22 140.86 39.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.1 mt -96.65 37.84 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.027 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 m -166.58 -76.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.276 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -44.9 79.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.372 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.95 -29.02 55.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.343 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -93.72 0.31 56.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.546 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.0 -64.56 0.77 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.772 0.32 . . . . 0.0 111.43 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -79.94 -2.61 44.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.296 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.3 35.59 63.64 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.612 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.12 -46.74 66.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.736 0.303 . . . . 0.0 111.15 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.08 86.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.51 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 tp -64.08 -46.05 86.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.297 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.12 -45.17 86.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.205 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.409 ' HB3' ' CE1' ' A' ' 20' ' ' TYR . . . -56.99 -47.2 81.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.367 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.57 -52.21 66.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.16 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.6 t -58.01 -39.61 72.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.272 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.432 ' CG ' ' HG3' ' A' ' 52' ' ' PRO . 23.8 t80 -58.63 -45.27 89.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.21 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -35.61 80.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.947 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.417 ' HG ' ' CE1' ' A' ' 106' ' ' PHE . 4.4 mm? -77.97 -40.77 38.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.919 0.39 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -137.43 69.94 53.88 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.772 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.5 -25.82 34.82 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.554 2.17 . . . . 0.0 112.256 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.17 -4.74 90.12 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.796 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.2 mt -136.33 31.74 2.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.809 0.304 . . . . 0.0 111.174 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -141.99 161.53 37.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.967 0.413 . . . . 0.0 111.246 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -146.79 64.98 9.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.297 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.432 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 14.7 Cg_endo -56.44 -49.76 14.01 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.955 2.437 . . . . 0.0 112.655 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.4 m -53.91 -29.85 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.211 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 2.7 tt0 -71.62 -50.38 31.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.348 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.47 -9.7 58.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.921 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -60.48 -37.32 80.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.58 -26.56 3.08 Favored Glycine 0 N--CA 1.454 -0.135 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.864 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.411 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 2.2 mp -50.35 -35.3 27.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 0.0 111.354 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.48 150.17 6.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.727 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.39 -57.98 3.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.739 0.304 . . . . 0.0 111.06 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.5 mt -58.57 -37.69 76.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -41.68 83.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.97 -42.49 97.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.2 m -66.84 -50.67 61.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.55 96.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.028 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 22.0 t90 -66.97 -41.07 87.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.61 -39.21 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.205 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.03 -43.54 92.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.018 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -68.38 -48.22 65.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.1 p -68.35 -40.69 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.026 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.47 -44.85 76.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.051 0.453 . . . . 0.0 110.335 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.487 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 0.3 OUTLIER -69.85 -37.5 76.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.432 179.3 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -69.87 -41.04 75.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.305 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.03 -42.27 21.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.126 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.2 mp -100.78 -44.16 5.88 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 110.0 15.17 12.15 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.642 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.422 HD13 ' CE1' ' A' ' 102' ' ' PHE . 20.5 mt -86.06 115.15 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 111.064 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 m -74.08 129.53 84.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.07 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.91 138.51 77.88 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.509 2.139 . . . . 0.0 112.33 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.1 t -116.65 -19.9 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.531 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.4 t -131.69 159.5 43.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.772 0.32 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.0 157.96 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.6 91.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -55.71 -46.35 77.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.033 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.71 91.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.7 t -69.16 -51.03 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.8 t -62.57 -34.91 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.65 -13.44 51.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.512 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 56.73 33.58 63.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.523 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.12 38.74 1.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.359 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -164.02 74.16 1.71 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -61.94 -42.73 28.85 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.517 2.144 . . . . 0.0 112.338 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.53 -41.22 89.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.48 -39.63 60.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.535 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -42.41 94.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 15.2 mt -67.55 -41.11 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.67 85.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.44 ' CE2' ' CE1' ' A' ' 102' ' ' PHE . 2.9 t80 -65.44 -41.81 93.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.822 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.8 tp -58.78 -32.98 69.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.037 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.6 t -61.88 -45.77 92.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.412 ' CD2' HG22 ' A' ' 77' ' ' ILE . 1.8 t-80 -62.44 -45.26 93.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.44 ' CE1' ' CE2' ' A' ' 98' ' ' TYR . 4.9 m-85 -66.64 -45.49 78.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.504 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 19.0 t-160 -64.13 -51.25 64.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -29.41 70.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.03 -37.87 45.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.281 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.417 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 12.2 m-85 -80.65 -36.61 32.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.157 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.1 tttp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.014 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.768 0.318 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.72 -46.92 85.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -66.49 -31.57 72.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.99 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tp -66.43 -48.48 69.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -34.82 76.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -64.4 -40.8 96.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.419 ' CH2' ' HA ' ' A' ' 103' ' ' HIS . 78.0 t90 -67.75 -42.53 81.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.039 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.69 -45.38 93.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -62.16 -40.58 96.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.002 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -66.25 -45.74 79.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.799 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -67.4 -29.27 68.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.7 m -88.3 7.5 31.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.346 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.9 129.95 34.79 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.801 0.334 . . . . 0.0 111.079 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.67 -24.8 1.65 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.601 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -89.75 121.34 69.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.473 0.178 . . . . 0.0 110.763 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.03 62.26 0.62 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.638 2.225 . . . . 0.0 112.618 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.93 38.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.446 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 p -121.85 120.68 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.966 0.412 . . . . 0.0 111.153 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 44.7 m170 -110.62 107.86 17.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.6 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.13 90.77 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.486 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.11 20.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.034 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -138.52 142.03 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.677 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.1 mt -95.07 37.12 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 t -167.3 -76.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.015 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.6 t -58.37 -21.4 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.307 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 t -68.13 -24.59 65.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.453 ' N ' ' CD1' ' A' ' 32' ' ' TRP . 3.4 m95 -107.84 16.62 23.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.271 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.38 -60.27 3.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.761 0.315 . . . . 0.0 111.092 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.7 p30 -86.47 5.99 32.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.206 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.85 28.96 63.85 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -44.48 71.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.815 0.34 . . . . 0.0 111.195 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.413 ' HB3' ' CZ3' ' A' ' 32' ' ' TRP . . . -68.85 -47.09 66.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.785 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.83 -46.66 88.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.395 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -38.29 70.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.39 77.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.805 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.6 mt -69.94 -51.33 33.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.763 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.6 t -59.03 -44.39 91.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.065 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 91.3 t80 -59.3 -37.92 78.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.982 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -41.18 99.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.456 ' CD2' ' CZ ' ' A' ' 106' ' ' PHE . 2.8 mm? -75.46 -37.4 60.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -140.81 77.72 21.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.415 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 48.7 Cg_endo -68.77 -16.14 41.43 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.607 2.204 . . . . 0.0 112.37 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.88 -20.08 51.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.776 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 25.4 mt -116.17 28.15 8.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 0.0 111.24 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.99 165.83 26.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.994 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -152.8 63.56 4.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.697 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -56.2 -30.43 79.81 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.874 2.383 . . . . 0.0 112.508 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.9 t -59.6 -42.46 92.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.435 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 6.8 mt-10 -71.71 -50.44 30.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.388 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.459 ' HA ' ' HB2' ' A' ' 58' ' ' LEU . 3.5 mm? -68.81 -10.26 55.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.731 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -64.23 -39.99 95.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.744 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.79 -11.41 11.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.979 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -57.44 -28.47 63.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.705 0.288 . . . . 0.0 110.677 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.69 169.72 13.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.71 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.76 -63.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 111.002 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.79 -37.57 76.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.3 -45.69 83.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.8 -43.64 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 m -67.34 -49.82 62.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.7 98.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.265 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -67.06 -49.94 63.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.8 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.61 89.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.51 -39.11 88.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -48.41 54.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.981 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.3 m -68.46 -46.1 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.022 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.25 -44.35 75.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.127 0.489 . . . . 0.0 110.277 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -69.56 -37.22 76.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.366 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -69.75 -41.14 75.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.411 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -80.85 -42.41 21.59 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.5 -34.95 15.37 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.76 29.68 12.94 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.299 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.3 mt -109.74 121.56 62.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.347 . . . . 0.0 111.093 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 m -76.53 124.13 87.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.423 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 51.9 Cg_exo -54.72 140.14 77.05 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.499 2.132 . . . . 0.0 112.228 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.73 8.15 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.447 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.7 p -149.07 146.22 17.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.826 0.346 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.71 148.17 38.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.55 91.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -43.67 75.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.069 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.85 -39.39 94.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.2 t -63.93 -46.88 92.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.297 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.1 t -73.44 -37.88 51.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.453 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.96 -13.48 53.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.642 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.37 35.76 73.27 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.422 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.7 p -84.89 -25.6 27.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.712 0.292 . . . . 0.0 111.163 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -117.39 80.47 12.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.994 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.61 -43.02 48.47 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.531 2.154 . . . . 0.0 112.098 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -36.32 76.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.98 -41.17 88.27 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.525 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.81 -43.26 99.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.309 . . . . 0.0 110.931 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.92 -41.2 84.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.54 77.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.301 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 79' ' ' PRO . 1.3 t80 -69.16 -39.92 78.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.413 HD23 ' CH2' ' A' ' 32' ' ' TRP . 3.6 mm? -62.37 -32.44 73.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.989 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -38.16 86.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -44.95 70.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.67 -34.38 75.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.419 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 64.5 t-80 -62.06 -42.8 99.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.1 p -63.74 -41.18 98.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.19 90.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.456 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 3.3 m-85 -65.8 -37.87 87.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.1 tptt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.774 0.321 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.67 -44.73 95.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.24 -39.94 96.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.2 mt -59.88 -41.05 90.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.738 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.49 -40.95 98.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.732 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -59.72 -41.14 90.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.815 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -67.77 -41.72 82.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.054 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 59.9 m -63.99 -45.65 88.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.259 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.458 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 3.8 pt20 -62.01 -35.08 77.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.059 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.18 -45.77 79.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.701 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -74.31 -27.95 60.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.458 ' OG1' ' HA ' ' A' ' 14' ' ' GLN . 33.2 p -89.02 7.48 34.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.384 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.96 125.41 30.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.772 0.32 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.77 -25.42 2.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.618 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -90.9 121.51 67.95 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.489 0.185 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.99 98.49 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.426 2.084 . . . . 0.0 112.391 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.67 -8.08 9.45 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.717 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 p -78.32 120.69 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 111.142 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -132.45 64.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.5 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.41 93.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.345 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.42 20.68 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -138.44 143.49 39.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.621 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 mt -97.07 38.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.02 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -161.27 -76.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.276 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.3 t -61.14 -43.38 98.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.406 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.89 -25.48 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.453 -179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -101.63 -0.91 33.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.625 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.1 -60.21 3.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.741 0.305 . . . . 0.0 111.318 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 p30 -79.46 -3.62 47.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.219 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.85 33.5 60.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.626 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.05 -42.86 56.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.659 0.266 . . . . 0.0 111.232 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.35 -47.49 83.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 0.0 111.21 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.3 mt -66.06 -46.05 79.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.704 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.418 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 4.9 m -61.56 -46.23 90.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.021 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.2 -40.56 70.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.04 -52.52 62.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.8 t -59.18 -49.62 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.25 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 68.8 t80 -55.41 -38.01 68.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.095 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -42.44 99.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.797 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.425 HD23 ' CD2' ' A' ' 106' ' ' PHE . 3.9 mm? -74.12 -34.71 64.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -151.21 80.93 6.3 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.774 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 56.7 Cg_endo -70.49 -37.3 7.59 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.515 2.143 . . . . 0.0 112.471 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.68 -34.53 89.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -94.57 20.94 7.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.52 0.2 . . . . 0.0 111.209 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -142.95 168.39 19.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.008 0.432 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 20.2 mt-10 -161.19 48.11 0.23 Allowed Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.612 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 20.5 Cg_endo -60.19 -16.86 42.71 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.695 2.263 . . . . 0.0 112.694 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.9 m -54.94 -42.2 72.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.502 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.7 -50.13 33.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.094 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.88 -9.79 58.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.793 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -60.49 -31.21 70.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 111.19 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.7 3.94 5.4 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.922 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.34 -27.07 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 111.023 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.85 140.49 3.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.53 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.23 -59.8 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 111.043 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.76 -37.83 83.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -62.46 -46.82 86.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.55 -42.09 92.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -50.73 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.052 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.13 -43.53 87.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -48.0 70.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.91 -46.58 90.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.37 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.84 -46.13 86.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -64.36 -48.18 76.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.209 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.39 -38.48 79.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.23 -46.45 75.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 110.764 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.472 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 13.8 pt-20 -70.19 -37.23 75.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.566 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.37 -41.35 76.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.338 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -42.47 20.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.986 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.4 -53.57 3.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 110.64 26.0 4.96 Favored Glycine 0 CA--C 1.517 0.158 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.281 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.2 mm -82.77 130.53 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.728 0.299 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.1 m -74.07 115.07 39.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.779 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.29 149.23 74.68 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.542 2.161 . . . . 0.0 112.278 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 t -141.55 17.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.301 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.3 m -149.75 160.44 4.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.842 0.353 . . . . 0.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.0 t -112.43 150.37 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.788 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.74 -43.5 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.167 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.31 -44.76 80.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.5 -38.36 80.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.8 t -66.66 -51.08 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.4 t -62.74 -31.19 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.205 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.21 -13.54 49.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.576 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.1 32.14 66.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.57 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.45 41.39 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.49 61.9 4.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.08 -42.8 27.59 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.609 2.206 . . . . 0.0 112.209 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.4 mt -58.55 -40.25 82.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.32 -37.4 90.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.371 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.82 -42.15 97.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.716 0.293 . . . . 0.0 110.786 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.6 mm -66.78 -44.27 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.067 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.76 90.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -68.94 -47.72 65.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.81 -34.06 72.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.827 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.1 t -63.03 -36.9 85.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.87 -39.31 61.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.766 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.408 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -67.46 -43.29 81.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.764 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.89 -48.2 82.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 m -57.94 -43.69 86.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.66 -37.37 73.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.425 ' CD2' HD23 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.67 -27.94 68.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.749 0.309 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.56 -46.9 86.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.309 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -67.86 -31.74 71.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.989 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.6 tp -72.02 -44.8 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.067 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.5 -45.91 88.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.16 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -60.82 -39.88 90.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.063 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.443 ' CD2' ' CD2' ' A' ' 103' ' ' HIS . 60.9 t90 -61.98 -40.01 94.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.5 m -69.13 -45.55 69.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -36.8 84.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -66.28 -45.67 79.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.722 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -69.71 -30.6 68.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.3 m -92.81 7.51 43.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.492 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.99 125.36 29.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.74 0.305 . . . . 0.0 111.028 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.3 -38.52 1.76 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -67.51 127.15 93.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.529 0.204 . . . . 0.0 110.773 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.99 110.33 2.9 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.429 2.086 . . . . 0.0 112.473 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.44 -25.05 16.33 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.404 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.2 t -79.16 120.67 30.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 0.0 111.148 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -127.68 83.81 2.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.785 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -77.31 103.73 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.277 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 m -151.06 22.85 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.956 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -138.13 147.81 44.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mt -97.15 37.91 1.29 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t -174.88 -77.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.32 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.1 m -54.05 -28.8 41.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.581 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -27.04 67.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.085 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.417 ' CH2' HD22 ' A' ' 99' ' ' LEU . 29.1 m95 -96.01 13.27 27.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.545 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.91 -55.82 29.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -87.68 6.97 32.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.274 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.86 33.56 87.35 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.701 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.84 -41.53 59.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 111.276 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.403 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -62.26 -47.27 85.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.244 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.3 tp -68.27 -42.08 80.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.739 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.411 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 3.1 m -64.03 -47.39 80.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.66 -42.22 74.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.223 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.69 -52.36 65.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.0 t -60.99 -45.68 98.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.237 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.408 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 35.6 t80 -55.09 -38.04 67.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.041 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -66.84 -42.01 86.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.454 ' CD2' ' CZ ' ' A' ' 106' ' ' PHE . 3.8 mm? -78.26 -31.46 49.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.246 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -144.67 68.62 14.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.017 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.408 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 57.1 Cg_endo -70.82 -27.55 21.3 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.535 2.157 . . . . 0.0 112.136 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.27 -4.89 89.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.746 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.6 mt -129.56 26.29 5.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.814 0.307 . . . . 0.0 111.207 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.6 154.47 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.994 0.426 . . . . 0.0 111.008 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 2.3 mm-40 -141.44 47.22 0.97 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.781 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 18.8 Cg_endo -58.91 -17.36 36.67 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.611 2.207 . . . . 0.0 112.714 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -57.17 -44.27 83.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.982 0.42 . . . . 0.0 110.62 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -71.68 -50.12 33.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.899 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mp -70.29 -9.9 57.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.721 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.47 -33.63 72.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.736 0.303 . . . . 0.0 111.106 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.6 4.73 6.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.753 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -27.28 24.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.0 125.14 0.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.655 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.31 -59.46 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.046 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.04 -37.64 85.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.79 -45.87 92.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.9 95.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.217 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -50.68 59.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.992 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.44 97.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -40.12 87.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.012 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.54 -39.63 73.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.32 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.88 -41.02 97.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.201 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.86 -48.46 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.331 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.3 m -68.28 -44.94 83.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.451 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.32 -46.09 76.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.974 0.416 . . . . 0.0 110.393 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.489 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 1.3 tt0 -69.86 -37.57 76.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.358 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.6 -41.26 79.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.502 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -42.39 21.27 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.66 -40.34 8.65 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 96.77 26.56 10.45 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.429 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.9 tt -81.88 127.78 39.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.822 0.344 . . . . 0.0 111.199 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 t -74.14 115.13 39.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.58 141.03 64.49 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.408 2.072 . . . . 0.0 112.339 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.82 -13.98 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.504 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.7 m -147.07 160.48 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 111.062 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 m -86.27 158.98 19.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.76 93.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -57.27 -41.62 80.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.57 96.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.3 t -64.24 -51.01 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.8 t -62.26 -31.37 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.256 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.74 -13.6 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.618 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.49 36.75 64.69 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.528 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.93 30.89 6.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 0.0 110.869 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -150.53 64.45 6.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -57.07 -42.89 58.95 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.64 2.227 . . . . 0.0 112.192 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.32 -36.89 85.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.51 -39.59 60.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -43.2 97.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.948 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.9 mt -67.76 -41.22 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.015 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.51 92.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.92 -41.99 86.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.764 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.417 HD22 ' CH2' ' A' ' 32' ' ' TRP . 3.5 mm? -60.8 -33.88 73.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.822 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.6 p -60.12 -36.96 78.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.5 -48.03 43.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -32.78 73.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.715 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.443 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 5.6 t-80 -60.69 -50.56 72.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.998 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -34.83 78.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.037 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.98 -44.49 84.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.043 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.454 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 3.3 m-85 -66.0 -33.45 75.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.846 0.355 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -64.18 -46.76 82.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.36 -40.44 97.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.8 mt -66.54 -39.03 88.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.32 -45.5 91.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -59.8 -44.39 94.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.018 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -67.52 -36.74 81.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.51 -45.45 75.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.291 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 15' ' ' GLU . 5.1 pt20 -65.73 -35.42 80.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.152 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 1.4 tp10 -66.32 -45.73 79.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.379 . . . . 0.0 110.743 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -65.38 -31.93 73.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.044 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.406 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 31.1 m -91.52 7.43 41.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.538 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.96 125.44 32.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.19 -15.96 2.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.777 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -94.65 121.69 62.5 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.621 0.21 . . . . 0.0 110.752 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.64 60.98 1.65 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.572 2.181 . . . . 0.0 112.739 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.91 37.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.958 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.5 t -140.54 120.95 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.249 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -117.32 119.24 34.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.406 ' CG2' ' CG2' ' A' ' 17' ' ' THR . 16.1 t -105.44 38.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.54 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t -96.43 19.89 11.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 111.12 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -138.15 138.06 38.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.24 36.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.133 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -164.19 -76.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 111.076 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -56.24 -27.22 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.388 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.424 ' OG ' ' CD1' ' A' ' 32' ' ' TRP . 4.1 p -68.38 -29.93 68.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.848 0.356 . . . . 0.0 111.042 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.424 ' CD1' ' OG ' ' A' ' 31' ' ' SER . 7.5 m95 -98.07 4.76 49.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.398 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.79 -64.77 0.71 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.698 0.285 . . . . 0.0 111.308 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -79.42 -2.19 40.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.345 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.28 32.24 52.53 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.577 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -73.08 -41.57 63.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 111.029 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.419 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -61.36 -47.17 87.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.101 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -46.02 87.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -33.38 73.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.28 93.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.986 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 106' ' ' PHE . 3.3 mt -70.22 -52.56 22.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.253 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.4 t -59.25 -48.0 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.017 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.475 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 90.0 t80 -56.55 -37.71 70.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.945 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -43.2 99.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.426 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 1.0 OUTLIER -76.06 -42.47 47.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.699 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -144.17 81.66 11.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.513 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.475 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 63.0 Cg_endo -73.78 -35.24 4.63 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.582 2.188 . . . . 0.0 112.302 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.86 -20.95 70.97 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.358 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -91.63 -8.92 45.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 mp -148.62 131.79 16.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.92 0.39 . . . . 0.0 111.479 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.47 81.51 0.45 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.502 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.43 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 19.0 Cg_endo -57.91 -37.99 94.05 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.8 2.334 . . . . 0.0 112.723 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -54.06 -36.02 62.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.288 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.406 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 6.7 tt0 -71.61 -50.22 32.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.534 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.419 HD13 ' CD2' ' A' ' 66' ' ' TRP . 5.8 mt -79.75 -9.57 59.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.983 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.43 -34.94 74.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.722 0.296 . . . . 0.0 111.551 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.11 -23.05 3.06 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.915 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 1.3 mp -55.07 -35.16 64.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 0.0 111.18 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.07 148.44 6.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.752 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.72 -56.11 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 tt -58.59 -43.73 89.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -64.27 -41.1 97.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.9 -43.59 95.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -50.57 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.49 98.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.419 ' CD2' HD13 ' A' ' 55' ' ' LEU . 7.4 t90 -66.83 -41.89 86.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.981 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.23 -39.95 74.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.317 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.14 -46.04 82.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.418 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.87 -48.61 73.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 111.299 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.0 t -68.7 -43.53 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.62 -46.24 77.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.927 0.394 . . . . 0.0 110.458 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.412 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 10.6 pt-20 -69.92 -37.31 75.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.556 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.407 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 2.7 m120 -69.63 -41.67 75.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.431 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.31 -42.4 20.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.99 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.58 -42.43 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 100.56 25.0 8.92 Favored Glycine 0 CA--C 1.518 0.238 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.684 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 35.7 mm -91.52 125.77 44.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.806 0.336 . . . . 0.0 111.128 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m -74.1 123.31 89.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.19 142.94 77.16 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.481 2.121 . . . . 0.0 112.355 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.61 4.78 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.663 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.7 m -149.77 150.63 13.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.815 0.34 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 m -86.89 147.64 25.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.11 -43.66 87.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.221 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -59.16 -37.1 76.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.005 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.52 -45.27 72.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.158 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.03 -48.7 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.344 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.4 p -61.35 -35.75 68.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.23 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.66 -13.38 39.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.487 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.33 34.6 85.56 Favored Glycine 0 C--N 1.33 0.201 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.4 m -107.46 30.99 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.72 0.295 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.6 70.24 10.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.07 -42.83 27.47 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.608 2.205 . . . . 0.0 112.276 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.85 -44.58 94.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.763 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.49 -32.55 84.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.324 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.421 HD21 ' CE2' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -64.55 -43.16 94.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.913 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.5 mm -64.91 -44.3 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.73 93.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.064 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -69.28 -46.45 67.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -32.6 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -44.08 84.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -62.58 -47.9 81.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 1.0 OUTLIER -62.73 -34.05 76.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -66.23 -47.68 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.54 -41.97 92.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.02 92.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 41' ' ' LEU . 3.3 m-85 -65.82 -42.44 90.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.892 0.377 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -62.69 -46.81 86.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -67.29 -31.77 72.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.65 -45.69 74.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.787 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.28 -34.93 78.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -65.96 -38.52 88.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.958 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 103' ' ' HIS . 77.2 t90 -66.33 -48.1 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.051 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.9 t -63.41 -45.52 90.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.033 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -67.85 -34.79 77.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.95 -45.54 85.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.6 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -65.74 -36.93 84.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 t -88.45 7.52 32.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.391 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.26 125.34 30.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.774 0.321 . . . . 0.0 111.046 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.81 -28.35 3.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.542 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -76.43 133.08 71.56 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.508 0.194 . . . . 0.0 110.832 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.39 103.14 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.435 2.09 . . . . 0.0 112.362 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.1 24.01 5.89 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.3 t -129.84 120.64 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.023 0.44 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -135.54 77.42 1.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.799 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.8 t -74.88 108.29 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.312 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.35 23.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 31' ' ' SER . 2.5 m-20 -138.17 154.38 49.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.719 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 2.3 mm? -97.83 37.73 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.025 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 t -175.72 -80.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.399 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.5 m -55.94 -24.01 35.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.561 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 0.5 OUTLIER -66.97 -31.03 71.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.123 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.451 ' N ' ' CD1' ' A' ' 32' ' ' TRP . 6.5 m95 -103.11 20.18 18.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.248 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.15 -56.68 18.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.28 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 p30 -82.94 1.26 40.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.446 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.09 27.81 73.57 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.563 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.05 -35.32 61.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.765 0.317 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.416 ' HB2' ' CE3' ' A' ' 32' ' ' TRP . . . -62.01 -47.17 85.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.059 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.71 -44.03 82.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -36.5 81.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.812 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.79 -48.71 80.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.423 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 5.7 mt -61.18 -47.38 86.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.814 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 t -57.92 -41.68 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -61.44 -37.86 85.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -40.25 96.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.422 HD23 ' CD2' ' A' ' 106' ' ' PHE . 4.1 mm? -84.82 -31.93 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.002 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -140.78 70.35 30.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.789 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.01 -27.0 30.57 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.534 2.156 . . . . 0.0 112.304 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.57 -4.39 90.4 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.702 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 mt -133.9 34.89 3.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.846 0.323 . . . . 0.0 111.183 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.72 160.18 43.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -143.41 64.39 13.73 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.564 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.34 -36.79 94.49 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.779 2.319 . . . . 0.0 112.507 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.1 p -60.3 -40.24 89.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.929 0.395 . . . . 0.0 110.723 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.57 -50.37 31.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.035 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.8 -13.1 61.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.38 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -63.61 -39.96 95.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.783 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.75 -14.54 8.62 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.994 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.41 -27.94 57.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.672 0.272 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.47 162.92 10.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.64 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.15 -66.57 0.7 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.918 0.39 . . . . 0.0 111.021 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.9 mp -59.54 -37.62 78.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.81 -44.42 96.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.78 -43.78 95.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -50.72 58.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.61 98.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.39 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -66.95 -49.72 64.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.933 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.32 93.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.51 -45.0 85.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.239 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -63.86 -48.51 76.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.064 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.1 p -68.42 -44.0 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.044 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.12 -45.41 75.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.045 0.45 . . . . 0.0 110.417 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.476 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 1.0 OUTLIER -69.89 -37.39 76.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.403 179.338 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -69.5 -41.21 76.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.44 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -42.38 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.65 -47.63 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 116.57 13.78 7.87 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.641 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.0 mm -83.7 106.07 13.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.64 0.257 . . . . 0.0 111.007 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.6 t -73.94 132.03 80.66 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.63 138.91 58.41 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.455 2.103 . . . . 0.0 112.366 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.14 -17.79 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.513 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.55 148.73 24.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 111.079 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.5 m -75.77 148.73 38.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.64 87.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -57.66 -39.2 76.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.48 -45.46 72.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.31 -51.04 77.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.294 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.89 -33.22 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.259 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.06 -13.36 53.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.598 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.49 31.83 67.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 p -106.05 31.35 5.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.98 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -154.66 67.94 5.54 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.04 -42.75 28.2 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.571 2.18 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.6 -44.12 89.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.99 -35.49 84.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.681 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.7 tp -60.12 -43.23 95.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.3 mm -67.8 -46.95 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.2 79.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -68.1 -47.64 67.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.024 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.16 -32.62 68.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.0 m -63.51 -36.84 85.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -74.65 -48.12 28.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.424 ' CE2' ' CZ ' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -62.83 -41.08 99.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.864 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.421 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 3.8 t60 -67.43 -44.23 79.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.9 m -66.63 -43.59 84.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.97 -44.41 85.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.19 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.424 ' CZ ' ' CE2' ' A' ' 102' ' ' PHE . 4.0 m-85 -68.69 -28.86 67.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -63.4 -46.82 84.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.305 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 2.7 pt-20 -62.52 -31.63 72.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.223 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 31.3 mt -66.6 -48.83 68.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.53 -38.88 92.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -59.8 -41.45 91.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -67.77 -36.49 80.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.157 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m -68.9 -45.48 70.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.406 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.432 ' HA ' HG23 ' A' ' 17' ' ' THR . 4.0 pt20 -67.29 -35.36 79.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.136 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 1.3 mt-10 -66.43 -45.68 79.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 111.011 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -65.29 -34.15 77.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.251 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.432 HG23 ' HA ' ' A' ' 14' ' ' GLN . 14.8 t -86.73 7.5 26.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.474 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.23 125.37 32.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 111.131 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.66 -22.58 2.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.694 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -81.62 140.02 47.66 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.669 0.271 . . . . 0.0 110.809 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.32 59.96 3.21 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.668 2.246 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.62 38.51 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.257 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.0 p -113.8 120.82 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 111.08 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -140.58 94.73 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.653 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.79 109.08 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.221 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -150.12 23.0 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.984 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.16 162.02 35.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.858 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -108.8 43.38 1.26 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.025 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.0 m -166.39 -79.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.9 m -65.75 -35.09 79.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.949 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.94 -24.18 22.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.351 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.41 ' CZ3' ' HB2' ' A' ' 37' ' ' ALA . 30.1 m95 -108.66 7.99 26.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.486 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.99 -60.81 2.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.632 0.253 . . . . 0.0 111.478 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.3 p30 -79.46 -2.83 43.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.445 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.42 35.99 92.06 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.574 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -39.57 86.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.791 0.329 . . . . 0.0 111.133 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.41 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . . . -64.58 -47.01 80.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.512 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mp -61.67 -46.09 91.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.156 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -67.22 -42.59 83.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.917 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.98 -47.36 83.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.97 -52.35 65.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.0 t -58.47 -42.37 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.429 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 72.7 t80 -61.1 -37.88 84.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -40.36 97.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.831 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.453 ' CD2' ' CE2' ' A' ' 106' ' ' PHE . 4.3 mm? -78.97 -35.99 42.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -144.25 75.86 15.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.717 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.429 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 43.0 Cg_endo -67.88 -26.56 37.95 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.571 2.18 . . . . 0.0 112.484 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.03 -28.61 68.21 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 mt -111.51 35.75 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.685 0.278 . . . . 0.0 111.205 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.11 164.4 34.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.368 . . . . 0.0 111.005 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -152.54 64.83 5.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.67 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.88 -26.06 72.4 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.717 2.278 . . . . 0.0 112.406 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -64.76 -41.46 95.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.656 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.55 -50.13 34.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.015 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 58' ' ' LEU . 18.4 mt -64.98 -14.2 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.372 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -40.04 95.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.888 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.03 -9.21 16.31 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.373 -0.918 . . . . 0.0 113.014 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -57.34 -29.19 63.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 110.663 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 139.88 174.62 13.84 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.663 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.66 -63.09 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 111.165 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -37.56 87.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.78 -46.82 77.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 55' ' ' LEU . . . -67.84 -43.91 78.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.149 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.6 m -67.44 -50.58 58.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.223 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.43 98.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.425 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.422 ' CH2' HG23 ' A' ' 70' ' ' VAL . 27.0 t90 -66.91 -49.94 63.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.041 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.41 82.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.352 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.9 -40.34 94.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.292 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -70.9 -48.47 53.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.242 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.422 HG23 ' CH2' ' A' ' 66' ' ' TRP . 23.8 t -68.71 -46.75 79.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.154 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.3 -44.26 75.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.044 0.449 . . . . 0.0 110.257 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.418 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 2.1 tm-20 -69.78 -37.28 76.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.402 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -70.85 -41.4 71.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.643 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -81.16 -42.3 21.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 35.3 mt -93.18 -33.14 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 93.41 20.77 31.31 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.406 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.4 mt -92.27 116.34 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.803 0.335 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 t -74.16 136.93 75.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.35 142.95 78.6 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.496 2.131 . . . . 0.0 112.385 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.3 t -113.87 -26.72 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.259 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.4 p -138.09 159.08 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.949 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 t -75.52 154.48 36.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.987 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.64 91.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -60.43 -37.05 79.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.984 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.58 -46.32 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.443 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.1 p -70.42 -44.91 76.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.41 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.59 -38.11 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.42 53.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.476 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.72 31.34 80.58 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.35 31.1 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.666 0.27 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -161.39 77.24 2.32 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.97 -38.1 60.4 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.654 2.236 . . . . 0.0 112.228 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.3 -38.81 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.829 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.81 -38.8 56.3 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.04 -43.18 95.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.76 0.314 . . . . 0.0 110.939 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 59.2 mt -67.91 -41.39 84.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.959 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.81 -40.16 83.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.049 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -66.73 -46.58 75.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.45 -38.63 77.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 53.1 m -60.19 -45.64 92.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.017 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -44.21 90.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.94 -41.45 82.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -65.86 -41.45 91.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.961 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 53.9 p -60.17 -43.85 95.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.16 -42.68 45.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.453 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 3.3 m-85 -65.87 -31.18 71.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 tttm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.75 0.31 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -62.75 -46.91 85.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.111 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.54 -31.64 67.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -68.37 -47.61 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -34.86 78.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.778 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -65.93 -38.0 87.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.414 ' CD2' ' CD2' ' A' ' 103' ' ' HIS . 42.4 t90 -67.66 -38.91 84.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.74 -45.43 86.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -67.42 -38.97 85.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.32 -45.71 79.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.516 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -66.62 -31.25 71.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.723 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.3 m -88.44 7.36 33.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.313 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.58 128.93 34.17 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.787 0.327 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.21 -24.31 2.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.622 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.427 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 34.6 m-85 -85.45 121.43 73.61 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.393 0.139 . . . . 0.0 110.739 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 16.7 Cg_exo -67.64 61.19 0.83 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.61 2.207 . . . . 0.0 112.698 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.86 40.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.769 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -140.54 120.84 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 111.078 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -122.62 127.67 49.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.773 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 t -121.02 98.34 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.332 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -152.47 23.95 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -138.01 148.13 44.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.732 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -96.3 36.91 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.281 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 t -170.44 -80.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.81 0.338 . . . . 0.0 111.398 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -54.4 -25.85 27.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.527 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -27.79 68.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.076 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.438 ' N ' ' CD1' ' A' ' 32' ' ' TRP . 3.8 m95 -110.84 18.08 19.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.26 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.02 -56.3 23.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.697 0.284 . . . . 0.0 111.201 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -87.39 7.68 27.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.43 29.3 74.0 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.878 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.09 -38.7 61.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 111.18 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.4 85.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.281 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -45.92 81.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -34.45 77.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.736 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.72 95.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 mp -66.74 -52.28 46.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 t -58.82 -47.86 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 69.8 t80 -55.32 -37.99 68.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -43.0 99.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.774 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.408 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.3 mm? -77.46 -33.43 54.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.803 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.14 81.44 6.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.504 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.476 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 55.4 Cg_endo -70.2 -36.97 8.71 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.476 2.117 . . . . 0.0 112.497 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.11 -29.23 74.35 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.92 24.02 5.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.575 0.226 . . . . 0.0 111.495 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mp -153.97 176.42 12.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.408 . . . . 0.0 111.286 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -157.25 61.84 2.47 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.611 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.427 ' CD ' ' CD1' ' A' ' 43' ' ' TYR . 10.4 Cg_endo -53.47 -34.51 72.28 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.875 2.383 . . . . 0.0 112.409 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.8 p -55.69 -45.07 77.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -71.62 -50.22 32.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.226 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.43 ' HB3' ' HA ' ' A' ' 63' ' ' ALA . 2.0 mt -67.72 -14.48 62.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.507 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -60.74 -39.77 89.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.471 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.81 -17.62 5.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.796 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.07 -30.58 48.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.961 0.41 . . . . 0.0 110.906 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.46 156.42 7.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.567 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.49 -55.6 5.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.782 0.325 . . . . 0.0 111.033 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.24 -37.41 77.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -70.04 -45.22 67.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.037 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.43 ' HA ' ' HB3' ' A' ' 55' ' ' LEU . . . -63.8 -44.01 94.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.196 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.8 t -67.59 -47.52 69.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.37 -43.51 85.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.342 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.411 ' CE3' HD12 ' A' ' 55' ' ' LEU . 19.6 t90 -66.9 -41.59 86.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.823 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.46 -37.87 74.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.68 -40.89 92.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.048 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -70.47 -48.34 56.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.1 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.8 m -68.25 -42.36 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.87 76.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.087 0.47 . . . . 0.0 110.241 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 29.1 tt0 -69.84 -37.34 76.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.415 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -71.0 -41.42 70.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.472 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -81.14 -42.35 21.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.022 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 tt -91.14 -33.76 15.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 83.0 34.99 19.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.354 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.7 tt -111.11 128.98 67.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.858 0.361 . . . . 0.0 111.18 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 m -74.3 124.07 89.64 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.416 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 49.6 Cg_exo -55.64 155.0 23.12 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.412 2.075 . . . . 0.0 112.323 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.27 -1.92 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.768 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.9 159.11 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.809 0.338 . . . . 0.0 111.084 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 m -84.4 158.01 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.58 92.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.327 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -33.33 75.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.072 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.36 -46.27 70.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.392 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.0 m -64.42 -40.92 90.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.43 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.1 t -69.86 -32.66 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.0 -13.52 38.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.553 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.12 31.36 68.83 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.556 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -98.64 31.95 2.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.3 75.62 3.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -62.08 -42.8 27.61 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.633 2.222 . . . . 0.0 112.211 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.3 -39.02 93.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.98 -44.26 91.98 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.97 -42.82 94.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.5 mt -67.63 -41.12 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.33 97.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.416 ' CE1' ' HA ' ' A' ' 79' ' ' PRO . 2.4 t80 -69.13 -40.01 78.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -41.24 86.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.2 t -60.39 -36.76 78.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -42.51 89.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -62.71 -35.88 81.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.414 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 10.4 t-80 -64.26 -41.6 96.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.5 m -56.43 -41.31 76.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.02 -40.24 22.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.408 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.76 -38.99 90.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.5 tttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.777 0.322 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.76 -46.86 86.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.119 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -65.59 -31.63 72.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.03 -46.02 79.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.733 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.99 -34.88 78.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -41.27 97.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -67.56 -36.87 81.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.11 -45.52 84.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.011 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.15 -36.51 81.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -45.51 79.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -69.39 -30.73 68.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.7 m -94.24 7.56 44.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.512 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.67 129.42 34.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.874 0.368 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.73 -26.03 2.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.673 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -86.36 121.33 72.46 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.465 0.174 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.79 101.82 0.4 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.379 2.053 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.5 22.75 4.31 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.433 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 p -111.02 120.37 61.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.053 0.454 . . . . 0.0 111.061 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -117.75 73.49 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.564 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -72.6 94.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.419 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -151.25 20.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -138.4 141.64 39.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.56 36.85 1.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 t -165.63 -68.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -61.17 -37.15 81.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 62.5 m -55.07 -26.77 39.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.277 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.415 ' CD1' ' N ' ' A' ' 32' ' ' TRP . 4.6 m95 -104.18 8.72 36.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.414 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.43 -58.7 6.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.71 0.29 . . . . 0.0 111.301 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 p30 -79.44 -3.35 46.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.335 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.92 26.0 63.32 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.744 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -36.3 61.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.726 0.298 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.404 ' HB2' ' CE3' ' A' ' 32' ' ' TRP . . . -63.9 -47.13 81.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.277 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 tp -68.43 -46.09 70.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.8 m -66.25 -37.49 85.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.783 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.78 93.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.973 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 106' ' ' PHE . 16.9 mt -62.91 -52.36 63.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.756 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 t -59.89 -42.63 89.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.439 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 81.0 t80 -60.05 -37.82 80.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.66 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -41.47 99.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.549 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' CD2' ' CE2' ' A' ' 106' ' ' PHE . 4.3 mm? -75.59 -30.43 59.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.86 82.59 6.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.597 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.439 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 50.7 Cg_endo -69.41 -26.05 29.63 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.6 2.2 . . . . 0.0 112.596 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.11 -33.87 43.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.653 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 mt -99.13 27.58 5.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.715 0.293 . . . . 0.0 111.255 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -142.1 164.47 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 111.019 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -154.7 64.51 4.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.36 -46.19 29.58 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.854 2.369 . . . . 0.0 112.581 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.9 p -55.04 -30.9 60.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.202 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.407 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 25.1 tt0 -71.5 -50.02 35.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.364 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.413 HD12 ' CE3' ' A' ' 66' ' ' TRP . 1.1 mt -84.2 -9.74 58.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.683 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -60.33 -35.48 75.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.547 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -118.47 -25.14 2.98 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.033 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 1.9 mp -52.98 -35.21 58.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 111.283 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.45 149.98 6.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.691 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.13 -55.15 5.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.085 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.57 -40.41 83.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.38 -35.38 73.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.403 ' HA ' ' HB3' ' A' ' 55' ' ' LEU . . . -67.06 -43.73 81.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.26 -50.61 65.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.73 -43.41 90.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.413 ' CE3' HD12 ' A' ' 55' ' ' LEU . 1.6 t90 -66.79 -44.94 79.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.58 94.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.271 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.01 -44.05 93.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.293 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -68.67 -48.41 64.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.349 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.8 m -68.26 -40.66 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.298 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.12 78.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.975 0.417 . . . . 0.0 110.442 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.517 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 5.2 tm-20 -69.87 -37.43 76.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.567 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -69.52 -41.21 76.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.384 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.22 -42.32 20.95 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.17 -42.11 6.16 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.517 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 96.56 28.3 9.1 Favored Glycine 0 N--CA 1.454 -0.115 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.235 -179.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.41 HD11 ' CD2' ' A' ' 101' ' ' HIS . 0.5 OUTLIER -93.41 122.51 44.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 111.044 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.9 m -74.18 115.17 40.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 44.3 Cg_endo -68.26 122.35 9.38 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.473 2.115 . . . . 0.0 112.208 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.0 t -102.52 19.29 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.424 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -149.75 147.97 15.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.828 0.347 . . . . 0.0 111.031 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.5 m -82.87 159.92 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.55 92.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -63.52 -33.87 76.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.55 -46.29 69.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.255 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.56 -41.47 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.186 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.74 -36.41 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.968 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.58 -13.46 37.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.504 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.0 28.34 60.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.609 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 t -79.06 -32.47 44.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.775 0.322 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.52 78.17 0.66 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.04 -42.8 27.86 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.491 2.127 . . . . 0.0 112.223 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.3 mt -58.41 -41.15 84.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.838 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.04 -37.66 93.34 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.38 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -42.72 96.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.9 mm -65.24 -41.16 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.59 92.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.425 ' CE1' ' HA ' ' A' ' 79' ' ' PRO . 11.2 t80 -69.27 -38.69 78.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.81 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -38.57 77.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 t -60.41 -42.02 95.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.776 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.41 ' CD2' HD11 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -64.72 -41.9 95.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -43.28 78.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -62.79 -43.19 99.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.8 m -58.59 -33.13 69.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.43 -44.29 17.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.446 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 3.2 m-85 -66.84 -33.07 74.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.04 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tptt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 -179.875 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.825 0.345 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.44 -46.87 68.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.478 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -65.42 -31.67 72.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 111.097 -179.799 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 69.2 mt -67.13 -46.34 74.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.32 -34.8 78.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -65.99 -38.34 88.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -67.65 -39.22 84.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -69.48 -45.45 68.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -60.91 -38.88 87.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -66.34 -45.49 80.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.798 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -68.37 -28.04 66.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.0 m -91.21 3.59 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.505 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.31 134.44 34.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.912 0.387 . . . . 0.0 111.079 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.77 -24.4 3.02 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.695 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -86.14 141.61 35.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.604 0.24 . . . . 0.0 110.969 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.33 62.77 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.592 2.195 . . . . 0.0 112.353 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.87 40.21 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.138 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.9 p -93.01 120.83 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.977 0.418 . . . . 0.0 111.274 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.89 74.48 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.369 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -99.17 90.48 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.591 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -147.08 21.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -138.1 148.59 45.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mp -102.07 40.2 1.37 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.102 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 t -174.0 -80.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.383 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -56.36 -22.14 29.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.449 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -30.67 71.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.164 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.418 ' CE3' ' HB1' ' A' ' 37' ' ' ALA . 6.4 m95 -95.54 13.54 25.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.484 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.55 -58.13 9.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.655 0.264 . . . . 0.0 111.281 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 p30 -79.42 -2.11 40.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.395 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.31 32.29 75.64 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.647 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -74.94 -40.54 60.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.418 ' HB1' ' CE3' ' A' ' 32' ' ' TRP . . . -59.99 -47.26 86.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.356 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.84 -46.03 76.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.01 -42.08 97.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.023 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.66 -46.96 83.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.295 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.52 -52.41 65.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.33 -43.29 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.459 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 72.2 t80 -59.37 -38.0 79.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.809 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -63.0 -41.97 99.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.709 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.437 ' CD2' ' CE2' ' A' ' 106' ' ' PHE . 4.1 mm? -78.6 -36.38 44.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.693 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -145.55 78.86 11.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.494 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.459 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 56.6 Cg_endo -70.78 -40.24 3.89 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.575 2.183 . . . . 0.0 112.566 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.97 -30.83 70.8 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.41 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 49' ' ' LEU . 2.8 mm? -96.25 24.81 5.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.597 0.237 . . . . 0.0 111.305 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.35 173.09 15.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.935 0.398 . . . . 0.0 111.249 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -158.83 59.16 1.41 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.582 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.434 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 10.5 Cg_endo -53.11 -31.29 53.83 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.095 2.53 . . . . 0.0 112.553 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.91 -47.26 71.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.285 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 4.0 mt-10 -71.72 -50.22 32.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.461 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.72 -9.77 57.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.005 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.421 ' HG3' ' CD1' ' A' ' 36' ' ' LEU . 12.5 tt0 -60.48 -39.81 89.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.7 0.286 . . . . 0.0 111.316 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.26 -14.12 5.58 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.837 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -60.34 -28.82 68.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.797 0.332 . . . . 0.0 110.805 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.02 151.36 6.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.915 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.46 -56.2 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.958 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.81 -37.63 82.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -64.38 -45.29 88.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.74 -43.63 95.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.43 -45.23 76.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.164 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.36 -43.72 93.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.451 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -50.02 63.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.382 . . . . 0.0 111.025 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.4 -40.23 95.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.264 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -45.52 88.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.192 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -66.91 -48.42 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.184 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.7 t -68.48 -38.8 79.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.191 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.15 79.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 0.0 110.576 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.482 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 13.2 pt-20 -70.09 -37.16 75.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.511 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -69.83 -41.28 75.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.384 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -42.28 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.196 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.6 mt -96.99 -38.71 9.68 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.482 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 94.7 25.68 14.8 Favored Glycine 0 CA--C 1.517 0.188 0 C-N-CA 120.35 -0.928 . . . . 0.0 112.231 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.8 mm -92.28 125.41 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.7 m -74.08 128.68 85.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.26 143.73 51.55 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.424 2.083 . . . . 0.0 112.34 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 t -113.17 -22.48 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.335 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.2 m -145.45 153.05 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.08 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 87.1 p -76.01 148.7 37.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.44 -43.54 88.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -39.85 69.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.86 74.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.57 -47.12 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.105 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.5 t -61.25 -34.19 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.02 -13.54 47.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.529 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.44 36.23 75.97 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.447 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 m -104.8 36.05 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.953 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -161.84 63.72 1.63 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.95 -42.23 65.63 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.586 2.191 . . . . 0.0 112.231 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.16 -42.11 85.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.12 -36.91 93.85 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.275 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.48 -42.66 99.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.798 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.1 mm -64.13 -42.02 94.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.41 86.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.402 ' CE1' ' CE1' ' A' ' 102' ' ' PHE . 8.8 t80 -63.87 -48.15 77.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -39.04 78.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.0 m -60.89 -40.29 92.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -68.22 -45.44 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.402 ' CE1' ' CE1' ' A' ' 98' ' ' TYR . 2.3 m-85 -66.86 -38.14 85.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -60.02 -41.52 92.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 m -58.54 -43.87 89.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.61 -40.43 63.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.437 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 3.4 m-85 -65.76 -31.29 72.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.822 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.749 0.309 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -47.06 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.324 -179.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -72.59 -31.61 65.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.8 tp -70.22 -46.85 63.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -36.21 82.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -41.29 91.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.423 ' CZ2' ' HG3' ' A' ' 16' ' ' GLN . 74.1 t90 -67.65 -36.92 81.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 m -68.93 -45.54 70.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.29 -39.43 94.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.024 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -66.33 -45.57 79.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.994 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 12.3 mm-40 -69.37 -31.51 69.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.139 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.9 m -89.03 7.53 34.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.345 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.91 125.4 32.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.359 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.79 -34.26 0.88 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.64 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.411 ' CE1' ' HB3' ' A' ' 40' ' ' ALA . 39.5 m-85 -78.16 138.7 60.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.691 0.282 . . . . 0.0 110.826 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.41 92.53 1.07 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.662 2.241 . . . . 0.0 112.492 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.33 -3.33 8.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.779 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.2 p -78.41 120.69 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 0.0 111.01 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.27 93.52 4.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.668 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.41 85.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.367 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.4 t -149.79 20.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -138.21 142.77 39.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.96 39.09 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.989 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 t -169.23 -78.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.348 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.9 t -56.8 -40.61 76.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.496 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.42 -27.0 33.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.401 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.435 ' CE3' ' HB2' ' A' ' 37' ' ' ALA . 12.6 m95 -102.28 14.58 31.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.566 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.85 -47.68 82.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.353 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 56.0 p-10 -86.14 5.55 33.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.389 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.52 21.68 35.73 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.847 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.401 ' CD2' ' HG3' ' A' ' 56' ' ' GLN . 20.8 tp -70.67 -30.44 67.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.804 0.335 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.435 ' HB2' ' CE3' ' A' ' 32' ' ' TRP . . . -61.91 -47.18 86.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.95 -46.18 75.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.69 -39.21 93.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.507 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.411 ' HB3' ' CE1' ' A' ' 20' ' ' TYR . . . -59.39 -40.7 87.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.77 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.37 -51.6 66.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.738 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.75 -46.65 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.444 ' CD2' ' HD2' ' A' ' 52' ' ' PRO . 47.5 t80 -59.15 -37.74 78.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -38.2 89.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.79 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.448 ' CD2' ' CE2' ' A' ' 106' ' ' PHE . 3.9 mm? -86.46 -29.64 22.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.704 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -146.11 74.46 13.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.532 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.439 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 56.0 Cg_endo -70.64 -30.76 17.72 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.509 2.139 . . . . 0.0 112.252 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.77 -21.42 73.07 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.7 mt -116.17 39.21 3.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.647 0.26 . . . . 0.0 111.324 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.34 170.7 19.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.001 0.429 . . . . 0.0 111.235 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -158.91 62.4 2.14 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.519 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.444 ' HD2' ' CD2' ' A' ' 43' ' ' TYR . 17.6 Cg_endo -57.14 -18.89 31.22 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.887 2.391 . . . . 0.0 112.676 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.4 p -62.16 -45.75 92.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.846 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -50.05 32.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.203 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.78 -17.07 60.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.674 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.401 ' HG3' ' CD2' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -60.88 -39.83 90.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 111.268 -179.529 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -118.46 -10.31 8.76 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.841 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -31.13 71.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.769 0.319 . . . . 0.0 110.701 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.36 153.94 7.82 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.651 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.05 -64.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.319 . . . . 0.0 111.042 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 tt -62.28 -37.59 86.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.14 -44.9 96.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.037 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.79 95.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.2 m -67.31 -50.73 58.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.54 98.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 32.8 t90 -66.8 -42.2 86.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.999 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.53 -37.68 74.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.254 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -46.06 77.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.04 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -48.49 74.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.915 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.2 m -68.5 -38.63 79.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.015 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.29 -44.24 75.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.033 0.444 . . . . 0.0 110.404 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.485 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 0.2 OUTLIER -69.66 -37.31 76.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.465 179.265 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.36 -41.19 70.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.519 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -80.8 -42.46 21.66 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.97 -45.31 5.22 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.485 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 110.17 19.72 7.89 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.691 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.7 mt -86.63 117.93 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.769 0.319 . . . . 0.0 111.108 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.4 t -74.15 133.47 78.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.36 134.17 62.33 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.44 2.093 . . . . 0.0 112.474 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.0 t -114.75 -23.72 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.273 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.2 m -130.58 160.47 41.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 84.6 p -90.45 150.44 21.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.948 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.68 98.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -37.77 67.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.85 79.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.43 -50.98 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.191 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.55 -27.84 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.295 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.92 -13.47 53.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.485 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.88 27.59 59.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.61 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -112.94 31.87 6.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.705 0.288 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -155.95 57.13 1.44 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -61.97 -39.79 48.09 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.591 2.194 . . . . 0.0 112.238 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.19 -44.57 88.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.022 0.439 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.23 -36.27 89.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.273 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.424 HD12 ' CE3' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -61.88 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 110.803 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 60.9 mt -64.12 -41.22 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.72 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.67 -33.97 72.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.738 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -45.55 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.785 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.412 HD23 ' CH2' ' A' ' 32' ' ' TRP . 59.8 mt -59.06 -32.74 70.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.74 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 m -59.95 -36.74 77.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.717 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -74.31 -41.74 60.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -63.42 -37.43 87.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.781 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -64.06 -45.17 89.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 m -58.69 -38.39 78.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.44 -41.67 27.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.448 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 3.3 m-85 -65.87 -31.05 71.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.84 0.353 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -62.6 -46.74 86.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.464 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 6.6 pt-20 -66.22 -33.95 76.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.845 0.355 . . . . 0.0 111.082 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 73.8 mt -73.84 -46.82 42.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.777 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -45.98 88.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.034 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -59.71 -42.4 92.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.009 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.497 ' CZ2' ' CD2' ' A' ' 103' ' ' HIS . 73.9 t90 -63.76 -44.14 94.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.781 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.8 t -64.53 -45.39 87.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -61.18 -41.08 96.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -66.28 -45.59 79.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.764 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.68 -28.88 62.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.8 m -91.33 7.42 41.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.453 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.13 143.87 33.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.2 -36.15 2.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -70.08 128.47 91.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.568 0.223 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.42 68.42 1.5 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.651 2.234 . . . . 0.0 112.525 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.7 38.41 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.287 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.1 p -117.76 120.67 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.037 0.446 . . . . 0.0 111.214 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -121.51 68.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.651 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.2 t -71.95 93.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.367 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.8 m -148.51 20.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.35 142.53 39.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.83 39.18 1.29 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -168.76 -77.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.29 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.3 m -56.14 -39.08 71.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.349 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.35 -24.16 27.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.42 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.432 ' N ' ' CD1' ' A' ' 32' ' ' TRP . 6.8 m95 -102.29 14.77 31.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.352 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.28 -54.24 49.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.415 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -87.95 10.06 20.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.544 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.96 30.89 77.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.697 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.03 -34.22 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . . . -68.75 -46.95 67.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.259 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.96 -45.95 69.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.181 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 93.7 m -66.36 -43.08 87.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.086 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.97 82.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.164 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.0 mt -64.19 -50.53 67.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.2 t -58.57 -39.19 74.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.358 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -69.23 -40.49 77.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.046 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -62.94 -30.66 71.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.032 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.43 HD22 ' CG ' ' A' ' 106' ' ' PHE . 1.6 mt -93.1 -50.48 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -120.99 67.54 15.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.505 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.24 -27.52 34.77 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.587 2.192 . . . . 0.0 112.116 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.45 -15.45 72.91 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.63 34.41 4.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.693 0.282 . . . . 0.0 111.183 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.85 158.62 44.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.968 0.413 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -148.33 71.09 10.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.29 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 56' ' ' GLN . 14.2 Cg_endo -56.37 -46.73 28.27 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.924 2.416 . . . . 0.0 112.655 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 p -54.0 -31.86 52.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.249 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.418 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 53.0 tt0 -71.41 -50.31 33.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.508 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.38 -9.62 58.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.938 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' PRO . 2.4 tt0 -60.6 -37.56 81.77 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.46 -26.27 3.2 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.29 -0.957 . . . . 0.0 112.924 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.418 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 1.8 mp -50.37 -34.62 24.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 111.263 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.31 150.69 6.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.715 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.24 -58.89 3.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.994 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.85 -37.6 76.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.6 -40.46 84.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.82 -42.77 97.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.091 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -46.8 78.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.19 -43.35 87.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.396 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -65.27 -49.96 67.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.992 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.7 -39.44 93.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.239 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.9 tp -65.38 -44.86 86.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -48.27 73.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.13 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.49 -43.19 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.48 -46.09 76.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 0.0 110.584 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 10.7 pt-20 -69.82 -37.1 76.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.596 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.41 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 3.8 m-20 -69.68 -41.34 75.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.478 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.78 -42.37 21.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.43 HD23 ' CZ ' ' A' ' 106' ' ' PHE . 0.2 OUTLIER -90.75 -33.99 15.52 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.22 26.97 16.94 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.43 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.2 mt -99.13 125.03 52.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.792 0.329 . . . . 0.0 111.185 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -74.14 133.63 78.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.07 145.39 64.38 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.587 2.191 . . . . 0.0 112.436 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.4 t -117.76 -27.72 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.334 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.23 159.15 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.87 156.34 20.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.56 98.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -55.46 -37.71 68.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.42 -43.85 76.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.75 -51.07 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.249 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 50.8 t -63.04 -36.38 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.09 -13.44 53.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.418 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.94 28.1 71.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.523 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -98.62 30.98 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -161.41 69.48 2.46 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.05 -40.58 41.75 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.662 2.241 . . . . 0.0 112.248 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.33 -36.39 73.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.18 -38.77 54.13 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -43.25 95.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.1 mm -67.76 -46.78 81.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.02 92.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -69.05 -48.23 63.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.07 -42.01 84.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.2 t -61.77 -36.9 82.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.51 -42.17 78.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.56 -46.73 81.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.003 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.497 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 18.7 t-160 -66.43 -51.26 58.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 93.0 p -63.33 -42.4 98.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.406 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.45 85.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.42 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.43 ' CZ ' HD23 ' A' ' 75' ' ' LEU . 24.9 m-85 -83.75 1.92 40.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.39 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.87 0.367 . . . . 0.0 110.745 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.57 -46.86 86.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.335 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -67.28 -31.7 72.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.064 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.73 -48.66 63.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -63.7 -38.49 91.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.779 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -59.81 -42.52 93.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.014 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.496 ' CE2' ' CD2' ' A' ' 103' ' ' HIS . 45.7 t90 -67.71 -37.89 82.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -45.65 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.2 -35.03 79.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.033 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -64.23 -45.82 86.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.419 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 17.5 mm-40 -70.73 -29.85 66.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.83 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 p -89.98 7.51 37.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.358 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.23 135.34 35.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.801 0.334 . . . . 0.0 111.099 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.52 -28.86 2.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.52 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -76.8 138.32 66.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.56 0.219 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.18 93.5 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.575 2.183 . . . . 0.0 112.507 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.93 -1.95 8.49 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.626 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.0 p -78.47 120.63 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.955 0.407 . . . . 0.0 111.075 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -129.53 61.52 1.55 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.0 t -72.38 102.47 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.361 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -149.66 21.94 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -138.18 144.43 40.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.753 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.88 35.31 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.032 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.3 m -166.25 -71.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.379 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -56.86 -43.83 81.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.314 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.24 -29.95 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.279 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.42 ' CE3' ' HB1' ' A' ' 37' ' ' ALA . 33.9 m95 -89.17 -0.38 57.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.485 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.01 -58.9 5.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.708 0.29 . . . . 0.0 111.453 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 p30 -79.48 -6.92 57.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.3 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.63 34.96 59.42 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.548 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -74.95 -29.35 60.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.689 0.281 . . . . 0.0 111.08 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB1' ' CE3' ' A' ' 32' ' ' TRP . . . -66.41 -47.35 73.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 111.297 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.51 -34.83 67.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.438 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 10.5 m -69.18 -49.19 58.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.84 -41.44 86.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.311 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.4 -52.56 64.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.011 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.2 t -61.89 -49.63 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.206 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.414 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 50.0 t80 -54.82 -37.95 66.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.056 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -64.16 -43.14 96.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.978 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.453 ' CD1' ' CE2' ' A' ' 106' ' ' PHE . 11.1 mp -76.28 -30.87 57.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.015 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -150.76 76.75 8.04 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.775 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 61.4 Cg_endo -73.28 -27.43 13.52 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.573 2.182 . . . . 0.0 112.32 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.72 -28.0 71.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.531 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.1 mt -105.99 25.59 10.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.672 0.272 . . . . 0.0 111.243 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.409 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 0.7 OUTLIER -144.75 164.11 32.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 111.196 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 27.1 mt-10 -157.26 50.84 0.45 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.695 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 20.3 Cg_endo -60.29 -17.36 46.29 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.73 2.287 . . . . 0.0 112.674 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.2 m -55.51 -41.28 72.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.053 0.454 . . . . 0.0 110.546 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.68 -49.97 34.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.131 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.95 -9.85 59.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.035 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' PRO . 1.0 OUTLIER -60.41 -34.29 73.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.32 . . . . 0.0 111.097 -179.328 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.09 -20.27 3.09 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.784 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.7 -33.6 70.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.882 0.372 . . . . 0.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.72 141.12 3.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.85 -57.28 6.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 tp -60.56 -37.5 81.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -43.0 99.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.93 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.31 -43.31 81.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.245 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 m -67.34 -50.74 58.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.065 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.63 98.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.223 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.414 ' CZ3' HG21 ' A' ' 70' ' ' VAL . 50.3 t90 -66.91 -42.05 86.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.08 -37.38 83.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.158 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.6 mt -64.57 -46.04 84.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -48.21 72.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.154 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.414 HG21 ' CZ3' ' A' ' 66' ' ' TRP . 27.6 m -68.48 -38.55 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.987 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.41 -44.03 75.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.464 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.427 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 3.1 tt0 -70.05 -37.54 75.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.395 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -68.58 -41.5 79.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.22 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -80.94 -42.37 21.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.533 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.79 -63.69 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.642 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 117.24 35.22 1.13 Allowed Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.481 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.422 HG22 ' CE1' ' A' ' 102' ' ' PHE . 23.1 mm -84.13 130.41 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -74.14 115.18 40.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -57.39 135.38 69.64 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.468 2.112 . . . . 0.0 112.336 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.2 t -126.73 1.16 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.714 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.1 m -149.74 160.44 4.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.803 0.335 . . . . 0.0 111.063 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.25 159.41 14.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.61 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -57.99 -36.17 72.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.46 -45.14 73.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.8 -48.35 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.68 -30.35 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.202 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.61 52.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.514 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.5 30.3 55.43 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.584 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 m -107.65 35.83 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 0.0 110.966 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.405 ' N ' ' HD3' ' A' ' 92' ' ' PRO . 1.2 t70 -157.14 62.42 2.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.067 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 91' ' ' ASP . 40.0 Cg_exo -56.93 -42.85 59.97 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.436 2.091 . . . . 0.0 112.178 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.36 -41.99 85.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.42 -38.24 96.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.325 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.15 -42.88 99.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.5 mm -63.8 -45.52 96.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.76 -43.4 85.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -47.09 65.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.43 -32.88 72.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.7 -37.58 82.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -72.9 -42.6 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.422 ' CE1' HG22 ' A' ' 77' ' ' ILE . 9.3 m-85 -67.76 -40.05 84.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.496 ' CD2' ' CE2' ' A' ' 12' ' ' TRP . 19.5 t-160 -64.63 -51.35 63.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.7 t -57.18 -38.62 73.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.83 -43.99 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.453 ' CE2' ' CD1' ' A' ' 45' ' ' LEU . 3.0 m-85 -66.08 -31.6 72.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.825 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 tttp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.784 0.326 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.71 -46.95 85.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 1.9 pt-20 -64.98 -31.6 72.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.117 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.445 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -71.81 -39.74 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.955 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -43.05 98.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.042 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -66.0 -37.85 86.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.022 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.494 ' CE2' ' CD2' ' A' ' 103' ' ' HIS . 86.8 t90 -62.94 -39.81 95.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.025 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.1 t -66.61 -45.46 79.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.938 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -64.54 -38.25 90.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -45.54 79.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.767 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -34.62 76.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.7 m -88.26 7.47 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.399 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.85 148.48 31.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.16 -30.6 6.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.593 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -85.81 121.61 73.11 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.535 0.207 . . . . 0.0 110.784 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.68 120.74 6.29 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.438 2.092 . . . . 0.0 112.459 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.96 -28.07 14.22 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.257 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.45 120.47 29.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -105.16 139.73 39.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.738 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 t -127.03 89.01 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.276 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.59 21.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.008 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -138.19 136.46 36.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.784 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.64 37.9 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.987 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -166.61 -70.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.029 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -57.8 -42.09 83.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.214 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -24.41 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.258 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -98.79 1.86 46.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.605 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.73 -59.64 4.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.685 0.279 . . . . 0.0 111.274 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.2 p30 -79.56 -2.96 44.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.243 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.04 26.83 63.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.631 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -67.66 -41.43 83.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.293 . . . . 0.0 110.96 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.0 -47.23 86.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.239 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.09 -45.99 75.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.412 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -61.54 -45.78 92.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.957 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.39 78.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.268 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.69 -52.42 64.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.58 -49.34 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CD1' ' CD ' ' A' ' 52' ' ' PRO . 63.6 t80 -56.52 -37.87 71.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.81 -42.34 99.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.428 HD13 ' CD2' ' A' ' 106' ' ' PHE . 11.1 mp -80.69 -37.29 31.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -139.51 72.78 36.71 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.769 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.447 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 59.2 Cg_endo -71.9 -25.73 19.57 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.59 2.193 . . . . 0.0 112.379 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.63 -37.34 77.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.701 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.16 30.03 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.713 0.292 . . . . 0.0 111.238 -179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -140.02 166.73 23.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.166 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -155.35 61.55 2.98 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.419 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.452 ' CD ' ' CD1' ' A' ' 43' ' ' TYR . 19.4 Cg_endo -58.78 -35.97 97.79 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.958 2.439 . . . . 0.0 112.806 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 t -54.33 -36.53 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.124 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.424 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 2.8 tt0 -71.75 -50.4 30.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.544 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.03 -9.64 59.6 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -35.56 76.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -123.71 -8.59 6.2 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.324 -0.941 . . . . 0.0 113.346 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.424 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -72.2 -28.62 63.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.926 0.363 . . . . 0.0 111.175 -179.841 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.06 149.39 6.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.804 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.18 -57.15 4.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.826 0.346 . . . . 0.0 111.007 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.66 -37.59 79.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.802 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -63.8 -46.8 83.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.97 -42.2 97.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.53 -50.32 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.55 97.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -48.9 67.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.92 -38.92 92.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.2 tp -65.35 -46.02 81.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.032 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.16 -48.38 73.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.01 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.58 -38.55 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.075 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.65 -46.27 77.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.665 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.456 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 10.7 pt-20 -70.11 -37.44 75.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.572 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -69.16 -41.63 76.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.282 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -81.11 -42.47 20.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.83 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.6 tt -96.43 -56.2 2.68 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 109.9 29.79 3.69 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.463 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.415 HD11 ' CD2' ' A' ' 101' ' ' HIS . 1.6 tt -95.81 128.71 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.322 . . . . 0.0 111.258 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 75.1 m -74.08 126.13 89.51 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.17 137.22 70.11 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.447 2.098 . . . . 0.0 112.276 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.5 t -113.48 -19.51 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.35 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.47 156.57 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.814 0.34 . . . . 0.0 111.029 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 65.9 m -86.92 160.87 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.83 94.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -60.84 -34.78 75.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.49 -46.58 69.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.398 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.4 m -70.29 -45.16 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.422 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.86 -33.0 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.026 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.54 52.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.474 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 56.14 27.35 51.76 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.662 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.17 36.65 2.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.74 63.64 5.96 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.51 -42.75 63.26 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.568 2.179 . . . . 0.0 112.303 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -40.89 96.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.96 -40.34 88.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.95 -42.71 94.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.8 mt -67.66 -41.19 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.92 98.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -68.67 -43.34 76.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.1 mt -59.32 -32.98 70.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.8 m -66.23 -37.04 84.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.415 ' CD2' HD11 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -69.88 -45.41 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.403 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 4.0 m-85 -68.14 -36.61 79.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.494 ' CD2' ' CE2' ' A' ' 12' ' ' TRP . 8.7 t-160 -62.85 -51.23 67.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.1 p -64.39 -43.78 93.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.946 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.99 -44.27 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.197 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.428 ' CD2' HD13 ' A' ' 45' ' ' LEU . 3.2 m-85 -65.88 -30.27 70.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.416 ' HD3' ' CD2' ' A' ' 103' ' ' HIS . 1.3 ttpt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 22.9 ptm . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.816 0.341 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 103.59 124.3 5.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -58.3 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -154.5 -55.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -171.61 -62.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -132.18 149.03 52.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -148.57 -47.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -132.09 -59.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.9 mtm -128.88 148.41 50.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -173.45 -58.18 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.34 -55.46 5.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.99 -29.66 70.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.32 -31.32 65.91 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.567 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -38.15 17.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -32.66 74.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.99 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.7 -46.87 86.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.39 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -70.31 -31.67 69.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.704 0.288 . . . . 0.0 111.051 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 20.8 mt -74.31 -48.56 27.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.79 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mt -63.45 -36.08 82.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -65.95 -44.38 85.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.431 ' CE2' ' CD2' ' A' ' 103' ' ' HIS . 87.2 t90 -67.73 -36.62 80.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.0 t -65.28 -45.43 84.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -63.33 -36.92 85.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.96 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.28 -45.64 79.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.802 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.78 -34.48 77.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 m -87.93 7.34 31.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.536 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.46 125.24 30.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.828 0.347 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.15 -31.52 1.95 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -76.84 121.43 84.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.577 0.227 . . . . 0.0 110.754 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.11 56.36 3.09 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.55 2.166 . . . . 0.0 112.707 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.99 36.29 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.654 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.3 t -138.08 120.84 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.86 125.82 53.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.73 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -121.75 91.07 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.287 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.7 m -148.62 21.4 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.14 140.5 39.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.744 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.36 37.81 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.914 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.6 m -164.49 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.159 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -39.04 74.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.375 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.3 m -54.87 -26.5 35.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.32 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -102.42 5.19 39.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.527 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.85 -60.97 2.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.761 0.315 . . . . 0.0 111.23 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.8 p30 -83.58 3.35 32.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.461 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.06 30.32 61.31 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.619 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.56 -46.03 41.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.68 0.276 . . . . 0.0 111.071 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.37 -47.18 87.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -45.38 78.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.994 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.5 m -63.93 -42.62 97.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.23 81.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.22 -50.84 51.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 t -57.94 -46.8 87.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.435 ' CG ' ' HG3' ' A' ' 52' ' ' PRO . 49.2 t80 -58.4 -37.99 76.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.952 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -37.73 88.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.422 ' HG ' ' CE1' ' A' ' 106' ' ' PHE . 4.4 mm? -77.12 -42.03 39.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.46 76.97 74.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 36.0 Cg_endo -65.18 -27.18 56.73 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.539 2.159 . . . . 0.0 112.19 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.77 3.28 77.78 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.718 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mt -136.47 28.89 3.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.765 0.317 . . . . 0.0 111.112 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -143.28 163.72 32.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.0 0.429 . . . . 0.0 111.114 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -147.81 65.1 8.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.54 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.435 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 12.1 Cg_endo -55.52 -52.37 7.8 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.757 2.305 . . . . 0.0 112.496 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.89 -29.62 42.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.428 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 70.5 tt0 -71.51 -50.1 34.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.346 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -84.3 -9.6 58.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.853 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.56 -38.5 84.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.858 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -115.55 -25.92 3.56 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.875 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 1.6 mp -49.25 -34.19 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.728 0.299 . . . . 0.0 111.343 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.28 155.53 7.9 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.852 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.78 -55.19 5.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.979 0.418 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.7 mt -58.48 -40.1 81.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.31 -39.11 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.53 95.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.4 m -67.35 -50.6 59.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.56 96.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.305 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.413 ' CZ3' HG22 ' A' ' 70' ' ' VAL . 33.8 t90 -66.91 -50.04 63.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.95 95.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.7 mt -66.16 -41.36 90.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.63 -48.48 63.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.945 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.413 HG22 ' CZ3' ' A' ' 66' ' ' TRP . 27.1 m -68.45 -40.44 82.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.051 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.64 75.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.093 0.473 . . . . 0.0 110.244 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.472 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 45.9 tt0 -69.8 -37.43 76.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.444 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -71.02 -41.34 70.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.569 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.06 -42.32 21.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.088 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.77 -42.41 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 103.97 19.66 11.55 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.52 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.9 mm -95.78 116.06 36.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.862 0.363 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.9 m -74.31 132.96 78.3 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.9 148.54 37.5 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.572 2.181 . . . . 0.0 112.314 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.2 t -113.21 -25.02 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.253 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.97 158.34 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.98 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -75.84 154.63 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.51 98.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -55.88 -44.0 77.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.04 84.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.0 t -63.77 -51.12 73.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.17 -33.91 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.04 -13.5 52.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.572 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.63 32.29 83.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.8 p -102.31 36.45 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.67 70.42 4.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -62.04 -42.74 28.2 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.654 2.236 . . . . 0.0 112.056 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.44 -35.83 82.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.807 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.67 -39.8 28.5 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.654 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -43.49 93.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.755 0.312 . . . . 0.0 111.0 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 pp -67.7 -41.12 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.016 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.14 96.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -61.41 -44.64 96.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 mt -58.11 -34.33 70.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.662 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.2 m -64.61 -38.3 90.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.676 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.47 -43.67 93.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.405 ' O ' ' CD2' ' A' ' 106' ' ' PHE . 21.0 m-85 -68.21 -37.87 81.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.709 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.431 ' CD2' ' CE2' ' A' ' 12' ' ' TRP . 11.9 t-160 -67.6 -45.47 75.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.85 -37.31 73.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.422 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 1.4 m-85 -87.19 -33.65 19.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -60.66 -32.14 71.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m -109.45 -60.82 1.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 12.3 ttm . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.845 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 77.3 mtp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.818 0.342 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 104.81 119.37 4.6 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -68.02 179.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -136.61 136.57 39.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -176.19 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -160.21 -45.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -70.56 66.33 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.22 145.73 29.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.7 ttt -120.69 115.74 23.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.033 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 125.29 -49.13 0.92 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.92 -47.97 23.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.728 0.299 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.2 73.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.99 -23.02 50.51 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.64 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.43 -42.31 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.908 0.385 . . . . 0.0 111.006 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -33.03 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.05 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -65.49 -38.99 91.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.054 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -62.46 -46.47 88.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.005 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -36.48 76.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.55 -46.18 87.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -66.28 -32.41 73.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.058 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.447 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 52.4 t90 -67.82 -49.47 62.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.898 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -45.4 92.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -43.39 98.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.29 -45.78 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 110.698 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -70.76 -28.51 64.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.1 m -88.1 7.5 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.44 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.65 140.99 31.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.793 0.33 . . . . 0.0 111.11 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.41 -24.53 3.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.612 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -86.1 145.11 39.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.675 0.274 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.21 62.76 1.46 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.555 2.17 . . . . 0.0 112.344 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.02 39.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.291 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -88.89 120.8 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.024 0.44 . . . . 0.0 111.027 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -144.08 38.61 1.31 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.599 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.24 97.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.301 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.2 m -146.16 20.84 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -138.22 146.94 43.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.528 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mp -99.66 39.38 1.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.03 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -169.58 -80.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.386 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.6 t -57.83 -24.22 56.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.52 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.5 t -68.47 -31.97 71.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.34 . . . . 0.0 111.091 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.417 ' CE2' HD23 ' A' ' 95' ' ' LEU . 13.8 m95 -94.12 14.62 19.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.43 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.43 -56.52 19.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.788 0.328 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -86.49 0.7 53.69 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.363 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.34 36.79 79.13 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.736 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.96 -36.69 62.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 111.197 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.66 -47.1 67.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.509 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.9 tp -64.03 -46.19 85.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.212 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 74.9 m -70.35 -39.02 74.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.904 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.57 -39.73 73.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 110.998 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.16 -52.38 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.9 t -59.2 -36.36 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -66.19 -37.95 86.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.853 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.68 -42.58 99.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.554 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.406 HD22 ' CE2' ' A' ' 106' ' ' PHE . 4.0 mm? -80.45 -35.56 34.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.417 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -141.93 92.05 7.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.419 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.62 -50.88 2.15 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.571 2.181 . . . . 0.0 112.365 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.21 -17.64 56.33 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.61 -66.45 0.39 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.627 0.251 . . . . 0.0 111.435 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.425 HD22 ' CE3' ' A' ' 66' ' ' TRP . 0.7 OUTLIER -135.23 157.64 46.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.969 0.414 . . . . 0.0 111.378 -179.566 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -108.01 81.24 1.19 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.527 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HB3' ' HB3' ' A' ' 39' ' ' CYS . 9.8 Cg_endo -51.69 -30.77 38.39 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.778 2.319 . . . . 0.0 112.589 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -48.65 71.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.913 0.387 . . . . 0.0 111.159 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -50.14 35.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.711 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 50.8 mt -70.99 -10.2 59.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.88 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.85 -39.93 90.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.7 0.286 . . . . 0.0 111.324 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.34 -18.22 5.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.745 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.96 -32.01 61.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.841 0.353 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.11 132.23 1.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.478 -0.867 . . . . 0.0 112.552 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.1 -65.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.329 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.89 -37.46 84.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -45.29 92.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.15 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.78 -43.75 95.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.178 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -50.64 60.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.354 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.78 94.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.441 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.425 ' CE3' HD22 ' A' ' 50' ' ' LEU . 1.6 t90 -67.03 -37.91 84.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.53 -42.37 71.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.556 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.77 -42.91 76.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.682 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -69.06 -48.53 62.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.563 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.421 HG21 ' CE3' ' A' ' 66' ' ' TRP . 40.7 t -68.57 -44.55 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.207 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.22 -39.5 69.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.159 0.504 . . . . 0.0 109.922 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -37.02 75.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.251 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.99 -42.14 58.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.701 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -42.59 19.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.08 -30.25 21.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.55 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.07 26.84 32.89 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.9 tt -107.37 126.28 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -74.24 135.31 76.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.031 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.65 158.87 18.53 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.528 2.152 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.54 -26.15 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.453 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.7 p -144.36 158.79 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.4 m -77.91 146.34 35.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.006 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.32 -43.7 92.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -54.8 -38.32 67.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.047 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.36 -41.07 81.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.87 -48.9 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.282 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 p -61.32 -34.71 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.277 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.08 -13.45 53.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.543 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.43 27.04 60.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.546 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.9 m -103.83 30.9 4.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.959 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -159.83 70.76 3.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.01 -41.44 36.46 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.618 2.212 . . . . 0.0 112.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.25 -36.22 72.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.44 -39.85 49.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.615 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.417 HD23 ' CE2' ' A' ' 32' ' ' TRP . 0.7 OUTLIER -61.16 -43.08 99.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.659 0.266 . . . . 0.0 110.95 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.8 mm -67.24 -41.21 86.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.93 -39.09 80.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -69.39 -42.3 75.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.91 -34.49 77.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.9 m -59.67 -41.06 89.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -44.81 68.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.475 ' CD2' ' CE1' ' A' ' 106' ' ' PHE . 0.2 OUTLIER -68.31 -41.58 80.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -65.48 -43.59 89.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 m -65.58 -38.48 89.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.97 -37.27 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.475 ' CE1' ' CD2' ' A' ' 102' ' ' PHE . 3.2 m-85 -65.81 -32.56 74.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -63.04 -30.84 71.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m -60.17 -42.7 95.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 1.2 ptp . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.806 0.336 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 143.66 88.67 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.606 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -117.57 84.62 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.84 108.62 12.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -148.51 84.11 1.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.39 69.98 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -150.38 126.68 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.818 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 7.0 t60 63.22 95.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.7 ttm -131.35 109.64 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -130.74 -67.4 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -61.68 -59.06 5.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.956 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.37 71.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.3 -26.95 59.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.6 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 m -83.14 -47.96 11.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -63.45 -32.89 74.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.085 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -46.82 86.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -66.28 -31.7 72.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.009 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.74 -48.72 73.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.49 -35.46 80.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.82 -44.19 94.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.497 ' CZ2' ' CD2' ' A' ' 103' ' ' HIS . 58.3 t90 -67.67 -47.36 69.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.73 -45.46 94.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.045 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -62.75 -34.91 78.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -66.4 -45.52 79.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.779 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.412 ' HG3' ' CZ3' ' A' ' 12' ' ' TRP . 13.4 mm-40 -67.7 -35.13 78.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.22 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.9 t -87.32 7.45 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.44 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.78 136.68 36.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.881 0.372 . . . . 0.0 111.071 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.32 -35.6 2.47 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -70.09 136.46 87.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.544 0.211 . . . . 0.0 110.791 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.68 107.21 2.41 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.505 2.137 . . . . 0.0 112.447 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.07 -24.79 15.46 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.343 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.46 120.6 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.915 0.388 . . . . 0.0 111.196 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -134.56 71.89 1.45 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.665 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.6 t -68.89 106.73 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.389 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.3 m -151.73 21.03 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.945 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -138.35 148.58 44.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.742 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.35 35.95 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.052 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -163.78 -69.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.8 0.333 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -46.08 91.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.6 m -52.67 -26.19 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.538 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.415 ' CE3' ' HB2' ' A' ' 37' ' ' ALA . 21.2 m95 -102.89 -2.01 28.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.676 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.96 -47.82 64.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.673 0.273 . . . . 0.0 111.475 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -95.33 -6.96 39.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.332 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.72 36.25 26.32 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.565 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.0 -39.96 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.733 0.301 . . . . 0.0 111.117 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.415 ' HB2' ' CE3' ' A' ' 32' ' ' TRP . . . -62.14 -47.32 85.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.318 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -42.36 74.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.8 m -64.15 -48.69 75.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.86 -42.67 80.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.318 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.64 -51.74 68.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.027 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 t -61.66 -49.62 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.229 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -57.95 -37.96 75.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.058 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -63.09 -40.07 96.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.178 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.455 ' CD2' ' CZ ' ' A' ' 106' ' ' PHE . 3.8 mm? -83.18 -36.52 24.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.168 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -138.87 70.74 42.85 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.65 -26.32 16.45 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.544 2.163 . . . . 0.0 112.136 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.24 -7.8 88.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.808 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.1 mt -124.6 23.33 8.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.708 0.289 . . . . 0.0 111.228 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.74 162.73 38.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.503 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 19.6 mt-10 -148.21 46.75 0.47 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 18.7 Cg_endo -60.01 -17.52 45.23 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.485 2.124 . . . . 0.0 112.669 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -41.64 67.36 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.945 0.402 . . . . 0.0 110.571 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.81 -49.31 39.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.687 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.35 -10.17 56.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.963 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -60.57 -34.8 74.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.733 0.301 . . . . 0.0 110.944 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.94 -4.0 6.78 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.903 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.21 -29.6 57.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.29 141.5 3.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.0 -55.57 8.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 111.044 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.9 mt -58.73 -41.5 86.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.5 -46.82 84.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.55 -43.19 94.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.1 m -67.28 -50.66 59.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.56 -43.68 89.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.229 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -67.0 -48.53 68.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.03 94.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.264 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.31 -46.21 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -48.27 80.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.042 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.9 t -68.51 -40.1 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.001 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.26 77.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.612 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.466 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 11.1 pt-20 -70.1 -37.12 75.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.433 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.32 -41.02 77.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.535 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -80.78 -42.42 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mp -96.18 -37.43 10.57 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 97.34 23.01 15.24 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.421 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.408 HD11 ' CE1' ' A' ' 102' ' ' PHE . 18.2 mt -91.49 123.99 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.779 0.323 . . . . 0.0 111.229 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -74.14 119.97 79.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.02 148.23 39.89 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.473 2.115 . . . . 0.0 112.376 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.0 t -128.03 4.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.524 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.4 m -149.72 160.33 5.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 m -101.23 154.64 18.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.793 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -43.7 94.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -55.25 -40.99 71.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.035 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.56 -37.15 79.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.1 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.4 t -66.12 -51.0 64.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.34 -26.77 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.93 -13.6 53.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.521 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.5 27.19 47.48 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.645 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.88 42.34 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -144.6 62.61 9.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.02 -42.76 28.23 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.585 2.19 . . . . 0.0 112.343 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.4 mp -61.67 -38.36 87.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.15 -38.88 38.63 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.17 -43.26 99.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.3 mt -67.77 -45.88 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.73 92.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -63.41 -47.07 83.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.65 -32.85 73.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.781 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -43.67 96.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.86 -46.48 74.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.408 ' CE1' HD11 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -61.73 -38.98 89.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.706 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.497 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 14.4 t-160 -68.06 -41.53 81.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -43.94 88.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.9 -31.8 66.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.455 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 3.4 m-30 -73.96 -31.16 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.77 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -88.54 -31.89 18.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.012 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.9 t -57.85 -35.37 70.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.974 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.986 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 6.3 mtt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.846 0.355 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -109.71 64.35 0.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.437 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -73.44 106.22 5.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -128.8 -46.4 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -142.3 133.39 26.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -125.43 -177.91 4.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -103.58 161.88 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -93.74 -31.32 14.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.43 99.74 8.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -148.5 -86.6 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -65.62 -40.59 92.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.32 18.91 10.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.376 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.92 -34.55 1.24 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.398 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 t -70.67 -39.23 73.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -63.48 -32.97 74.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.21 -46.91 84.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.267 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -63.46 -31.47 72.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.169 -179.716 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 58.3 mt -67.93 -44.59 76.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.915 0.388 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.52 -34.81 78.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -65.31 -44.33 88.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.433 ' CD2' ' CD2' ' A' ' 103' ' ' HIS . 83.1 t90 -67.68 -40.31 84.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.737 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.94 -44.64 84.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -60.87 -41.29 95.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.3 -45.59 79.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.603 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 23.9 mm100 -67.15 -31.76 72.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.9 m -87.77 7.35 30.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.431 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.88 125.35 29.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.838 0.351 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.03 -28.41 1.13 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -88.93 121.4 69.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.476 0.179 . . . . 0.0 110.727 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.81 68.38 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.556 2.171 . . . . 0.0 112.62 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.46 -27.54 0.68 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.994 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.0 t -78.5 122.55 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.961 0.41 . . . . 0.0 111.387 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.52 116.92 17.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.445 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.4 t -96.77 88.4 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.585 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.15 18.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.981 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -138.2 140.66 39.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.552 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.98 37.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.051 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -159.66 -78.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.447 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 m -59.95 -39.69 86.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.382 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 t -52.53 -29.76 26.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.396 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.418 ' CH2' HD13 ' A' ' 99' ' ' LEU . 9.1 m95 -110.24 12.07 23.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.567 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.86 -57.13 13.83 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.745 0.307 . . . . 0.0 111.252 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -89.36 8.76 29.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.353 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.86 33.36 87.04 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.636 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -75.0 -36.03 61.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.779 0.323 . . . . 0.0 111.131 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.405 ' HB1' ' CE3' ' A' ' 32' ' ' TRP . . . -64.4 -47.16 80.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.178 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -45.82 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.61 84.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.799 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.2 -39.38 78.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.075 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.87 -50.51 41.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.8 t -60.51 -49.65 83.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.249 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 75.5 t80 -56.46 -37.91 70.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.068 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -62.86 -41.35 99.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' CD2' ' CE2' ' A' ' 106' ' ' PHE . 3.9 mm? -73.78 -38.31 64.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.783 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.14 72.27 60.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.796 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.418 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 37.9 Cg_endo -66.48 -27.42 46.59 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.515 2.143 . . . . 0.0 111.941 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.19 0.12 88.76 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.622 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.0 mt -130.76 29.34 4.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.714 0.292 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.44 177.13 10.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.971 0.415 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -163.48 63.06 1.19 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.495 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' GLN . 18.5 Cg_endo -58.67 -35.4 98.7 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.871 2.381 . . . . 0.0 112.676 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -54.28 -35.64 62.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.56 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -71.61 -49.93 35.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.472 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mt -81.41 -9.47 59.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.894 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -60.28 -33.63 72.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.632 0.253 . . . . 0.0 111.612 -179.085 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.16 -23.86 2.59 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.35 -0.928 . . . . 0.0 112.981 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 mp -56.47 -35.41 67.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.862 0.363 . . . . 0.0 111.145 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.66 147.74 6.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.62 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.41 -54.93 5.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.818 0.342 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.59 -41.9 91.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.33 -46.92 84.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.58 94.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.3 m -66.91 -50.71 61.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.006 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.58 96.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.401 ' CE3' HG23 ' A' ' 70' ' ' VAL . 46.8 t90 -67.04 -39.0 86.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.835 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.64 -37.3 73.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.204 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tp -64.67 -43.29 94.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.3 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -48.57 66.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.176 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.401 HG23 ' CE3' ' A' ' 66' ' ' TRP . 26.7 t -68.53 -40.2 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.102 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.09 -44.93 79.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.032 0.444 . . . . 0.0 110.239 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 2.4 tt0 -69.83 -37.44 76.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.473 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -71.72 -41.43 68.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.579 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -81.18 -42.39 20.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.927 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.38 -34.87 14.7 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 89.29 27.42 23.01 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.223 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 11.2 tt -106.65 126.6 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.3 . . . . 0.0 111.16 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.05 130.21 83.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.423 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 71.9 Cg_endo -76.68 142.28 22.79 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.618 2.212 . . . . 0.0 112.505 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.7 t -126.58 21.44 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 p -149.76 152.71 11.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.49 151.79 20.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.41 -43.62 96.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -54.91 -40.2 69.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.225 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.88 79.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.1 t -67.68 -47.92 78.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.362 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.5 p -61.34 -32.22 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.323 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.02 -13.63 52.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.585 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.36 24.15 36.62 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.608 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 p -107.54 42.87 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.955 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -158.2 70.24 3.93 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.99 -42.84 27.95 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.628 2.219 . . . . 0.0 112.298 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.32 -36.11 75.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.35 -42.91 33.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -43.17 99.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.303 . . . . 0.0 110.949 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.6 mt -67.79 -44.96 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.07 93.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 79' ' ' PRO . 5.3 t80 -69.13 -38.59 78.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.418 HD13 ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -58.24 -35.06 71.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.0 m -60.03 -44.24 94.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -45.0 89.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.802 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -40.59 96.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.742 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.433 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 34.0 t-80 -65.95 -45.96 79.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.0 t -59.59 -43.94 93.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.55 -44.35 64.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.449 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 3.4 m-85 -69.23 -27.84 65.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -57.42 -39.78 76.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 t -61.49 -31.09 71.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.84 0.353 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 163.5 -61.64 0.26 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.442 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.94 151.18 44.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.731 0.3 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.6 -176.47 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.836 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -145.87 164.07 33.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -142.61 -170.95 3.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -100.8 -58.96 1.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -151.01 104.94 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.7 tpt -157.07 157.0 33.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.776 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 141.8 -58.08 0.57 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -32.89 74.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 0.0 110.858 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.39 -38.06 50.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.21 -28.44 66.23 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.54 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -68.31 -53.2 25.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.47 -32.73 74.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.11 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.53 -46.98 85.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 1.7 pt-20 -64.72 -31.43 72.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.962 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.443 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 55.0 tp -70.57 -48.49 55.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.916 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -34.87 78.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -65.57 -41.05 93.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.416 ' CH2' ' HG3' ' A' ' 16' ' ' GLN . 80.4 t90 -67.66 -44.88 76.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.2 t -59.79 -45.5 92.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.033 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -62.37 -37.5 85.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -45.73 80.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.416 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 24.5 mm-40 -66.99 -27.12 67.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -88.16 7.5 31.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.375 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.55 144.79 31.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.855 0.36 . . . . 0.0 111.051 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.55 -22.22 4.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.654 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 10.4 m-85 -92.11 132.65 31.92 Favored Pre-proline 0 C--N 1.33 -0.264 0 O-C-N 122.857 -0.202 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 18.4 Cg_exo -66.22 63.15 0.49 Allowed 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.597 2.198 . . . . 0.0 112.326 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.73 41.31 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.139 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.8 p -90.06 120.77 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 0.0 111.191 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -129.85 78.78 1.87 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.577 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 t -113.76 88.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.239 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.21 22.37 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 31' ' ' SER . 14.4 m-20 -138.12 148.98 45.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.644 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 mt -98.52 38.51 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.049 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 t -173.9 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.328 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -55.74 -26.45 45.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.65 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 14.9 t -68.43 -30.67 69.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.962 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -97.9 14.31 27.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.408 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.3 -57.41 11.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.835 0.35 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -86.5 -0.25 55.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.248 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.29 37.23 70.93 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.542 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.03 -35.96 61.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.671 0.272 . . . . 0.0 111.334 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.54 -47.44 75.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.824 0.345 . . . . 0.0 111.266 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.69 -38.55 77.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.416 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 2.9 m -67.49 -48.6 66.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.837 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.63 -41.08 73.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.229 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.2 mt -62.73 -50.21 71.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.94 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.0 t -60.82 -48.97 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 58.6 t80 -55.46 -37.92 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.004 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -43.14 99.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.445 ' CD2' ' CE2' ' A' ' 106' ' ' PHE . 4.2 mm? -74.73 -40.31 61.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.728 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.82 78.58 14.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.594 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.438 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 59.0 Cg_endo -72.21 -28.61 15.31 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.609 2.206 . . . . 0.0 112.396 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.72 -34.65 72.64 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.561 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.9 mt -95.5 22.02 7.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.652 0.263 . . . . 0.0 111.396 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.47 166.0 26.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.023 0.44 . . . . 0.0 111.198 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 3.2 mm-40 -156.99 49.4 0.38 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.509 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 17.9 Cg_endo -59.0 -18.39 42.83 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.708 2.272 . . . . 0.0 112.69 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.1 m -54.56 -44.64 73.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.028 0.442 . . . . 0.0 110.375 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.415 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 0.5 OUTLIER -71.73 -50.04 33.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.761 179.475 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mt -67.96 -9.97 49.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.684 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -39.8 89.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.671 0.272 . . . . 0.0 111.057 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.07 -9.94 6.49 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.88 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.415 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -68.5 -24.92 64.73 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.691 -0.299 . . . . 0.0 110.924 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.49 141.82 3.41 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.572 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.41 -59.56 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 111.002 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -37.51 82.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -64.62 -42.67 95.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.96 -43.65 95.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -66.09 -50.48 63.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.214 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 8.7 t90 -66.94 -47.88 70.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.02 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.3 84.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.32 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.35 -46.07 85.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.246 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.21 -48.46 73.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.16 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.5 m -68.54 -39.37 80.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.284 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.87 -46.32 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.615 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.41 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 8.2 pt-20 -69.79 -36.96 76.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.461 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -69.7 -41.0 75.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.541 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.83 -42.46 21.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mp -92.05 -32.24 15.26 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 89.11 28.68 19.81 Favored Glycine 0 CA--C 1.517 0.169 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.307 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.413 HG22 ' CE1' ' A' ' 101' ' ' HIS . 18.8 mt -107.41 123.62 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 111.13 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.4 m -74.77 129.06 84.28 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.6 149.75 38.37 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.465 2.11 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.8 t -127.03 1.5 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.705 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.9 m -145.74 160.33 12.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.748 0.308 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.12 156.33 19.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.826 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.57 91.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -63.93 -33.49 75.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.53 -46.25 70.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.423 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.1 p -70.34 -43.02 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.226 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.5 t -64.34 -39.19 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.01 -13.49 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.462 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.69 30.31 76.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.546 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 p -98.54 31.1 2.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.55 71.35 2.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -62.0 -42.15 32.08 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.586 2.191 . . . . 0.0 112.232 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.8 mt -58.23 -36.22 72.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.64 -42.83 45.85 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.572 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.1 -43.17 95.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 111.039 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 50.5 mt -67.88 -41.1 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.996 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.12 96.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -69.1 -41.47 77.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.38 -33.25 70.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.762 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t -62.99 -36.73 84.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.785 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.413 ' CE1' HG22 ' A' ' 77' ' ' ILE . 4.3 t-80 -70.31 -39.11 75.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.745 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.404 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 13.3 m-85 -68.14 -38.19 81.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -63.39 -48.49 77.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.2 m -59.36 -37.52 78.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.91 -40.57 39.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.445 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 3.2 m-85 -65.68 -31.59 72.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -68.43 -42.13 79.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.57 -64.66 0.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -8' ' ' MET . . . . . 0.407 ' O ' ' CD2' ' A' ' -4' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.829 0.347 . . . . 0.0 111.193 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 76.68 58.27 3.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 34.4 m170 59.69 28.08 17.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.705 0.288 . . . . 0.0 110.969 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 57.78 97.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' -8' ' ' MET . 0.7 OUTLIER -154.75 170.33 21.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.98 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 60.16 31.19 20.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -130.84 130.35 43.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.89 85.59 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.804 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.87 106.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -104.71 -57.31 0.7 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.568 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -81.84 -43.18 18.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.87 0.367 . . . . 0.0 110.973 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.65 -27.94 55.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.36 -26.64 65.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.673 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.4 m -68.17 -51.81 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.984 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -63.52 -32.9 74.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.021 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -46.8 86.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.21 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 3.8 pt-20 -65.62 -31.59 72.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.138 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 11.0 mt -67.43 -48.53 67.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.056 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -34.9 76.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.062 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -66.0 -40.74 91.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -67.6 -44.14 78.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.225 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.59 -45.6 93.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.076 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -66.18 -39.11 89.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.083 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.34 -45.57 79.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.805 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -68.74 -33.62 74.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.078 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.5 m -90.73 7.43 39.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.537 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.11 125.37 30.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.737 0.303 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.6 -32.34 2.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.675 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -76.82 121.31 84.58 Favored Pre-proline 0 C--N 1.33 -0.27 0 O-C-N 122.863 -0.198 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.73 117.23 4.45 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.489 2.126 . . . . 0.0 112.249 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.27 -26.94 15.2 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.417 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.44 120.49 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.976 0.417 . . . . 0.0 111.149 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.49 86.39 2.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.696 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.37 94.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.51 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.66 19.97 0.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -138.37 137.25 37.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.699 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 mt -94.27 36.74 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 t -163.5 -70.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.037 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -33.42 75.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 t -55.6 -24.17 31.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.439 ' CD1' ' N ' ' A' ' 32' ' ' TRP . 3.8 m95 -107.53 9.5 29.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.417 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.64 -60.92 2.7 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.747 0.308 . . . . 0.0 111.332 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.9 p30 -83.72 3.03 34.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.335 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.38 30.51 66.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.708 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -74.93 -35.15 62.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.855 0.36 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.71 -47.11 67.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.338 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.66 -46.11 83.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.051 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.0 m -69.21 -34.06 74.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.805 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.88 90.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 18.5 mt -70.21 -51.56 30.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 36.5 t -58.99 -43.35 88.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.453 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 68.8 t80 -60.15 -37.95 81.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -40.77 98.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.441 ' CD2' ' CE2' ' A' ' 106' ' ' PHE . 4.4 mm? -79.22 -46.35 18.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.857 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.68 79.99 51.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.662 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.453 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 48.6 Cg_endo -68.84 -29.42 28.58 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.543 2.162 . . . . 0.0 112.501 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.91 -32.59 66.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' A' ' 49' ' ' LEU . 2.7 mm? -97.19 25.2 5.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.61 0.243 . . . . 0.0 111.171 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.02 166.91 26.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 111.074 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -154.06 61.21 3.26 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.591 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 9.4 Cg_endo -51.85 -34.52 55.64 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.911 2.407 . . . . 0.0 112.404 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.13 -48.31 70.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -71.7 -50.21 32.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.225 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 58' ' ' LEU . 44.5 mt -64.61 -14.21 56.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.749 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -63.54 -39.79 95.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.56 -8.15 21.38 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.205 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -58.91 -31.55 68.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.823 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.23 155.74 6.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.525 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.87 -60.07 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.72 -37.53 82.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -46.77 67.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.053 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.79 93.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.28 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.2 m -67.2 -49.41 64.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.61 94.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.358 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -66.88 -50.16 63.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 111.127 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.78 98.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.37 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.0 mt -64.83 -42.25 95.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.169 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.53 -48.26 61.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.224 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.4 p -68.49 -43.55 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.152 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.08 75.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.011 0.434 . . . . 0.0 110.288 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 8.2 tt0 -69.8 -37.27 76.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.417 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -70.9 -41.38 71.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.479 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -80.99 -42.38 21.28 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.83 -40.83 9.53 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 103.84 17.06 17.66 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.624 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.1 mt -95.01 112.31 27.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.808 0.337 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.4 t -74.24 134.05 77.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.035 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.05 147.45 53.19 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.392 2.061 . . . . 0.0 112.322 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.2 -15.47 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.562 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.1 p -139.53 158.51 27.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.736 0.303 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.6 t -77.34 150.01 35.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.32 -43.59 97.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -36.52 74.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.81 -45.21 79.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.27 -51.07 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.1 t -62.75 -35.0 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.31 53.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.57 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.27 27.98 61.1 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.592 -0.814 . . . . 0.0 112.538 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 m -102.26 31.18 4.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -159.39 63.54 2.27 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.1 -42.32 65.57 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.536 2.158 . . . . 0.0 112.397 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -36.25 72.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.54 -39.71 68.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.556 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.03 -41.61 92.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.1 mm -67.74 -41.25 85.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.061 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.69 95.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -69.23 -45.08 70.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.41 -38.43 80.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -60.54 -36.83 79.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -73.58 -39.73 64.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.003 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -41.44 85.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -66.01 -41.66 90.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.51 -43.88 96.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.045 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.27 -44.36 59.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.441 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 3.9 m-85 -65.81 -24.2 66.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.103 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.24 -38.94 69.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.057 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -50.3 73.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.3 tpp . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.875 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.808 0.337 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -141.6 136.76 7.59 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.532 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -112.38 134.27 54.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 62.47 -80.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 58.27 -170.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 60.02 165.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -167.61 125.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -136.44 101.73 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.6 mtp -176.02 92.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -149.55 -60.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -93.84 17.61 11.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.628 0.252 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.12 -35.73 3.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.74 0.305 . . . . 0.0 111.092 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.86 -27.46 41.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.1 p -75.5 -48.77 21.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.978 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -63.54 -32.88 74.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.146 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -62.56 -46.93 86.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.48 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 3.1 pt-20 -63.67 -31.68 72.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.034 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 72.4 mt -70.42 -48.63 55.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -39.84 95.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -59.67 -44.41 93.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.011 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.504 ' CZ2' ' CD2' ' A' ' 103' ' ' HIS . 80.5 t90 -65.01 -42.92 94.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -45.41 92.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -61.34 -35.2 76.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -45.56 80.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 37.5 mm-40 -69.26 -30.65 68.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.0 m -95.78 7.44 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.513 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.02 125.28 30.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.66 -27.74 1.48 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.582 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.409 ' CE1' ' HB3' ' A' ' 40' ' ' ALA . 25.4 m-85 -88.95 121.37 69.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.448 0.166 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -62.7 122.44 10.77 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.47 2.114 . . . . 0.0 112.295 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.43 -27.18 16.1 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.351 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.5 t -78.95 120.54 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.062 0.458 . . . . 0.0 111.059 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.47 72.12 1.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.512 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -63.77 92.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.444 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.1 20.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -138.22 140.86 39.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.1 mt -96.65 37.84 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.027 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 m -166.58 -76.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.276 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -44.9 79.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.372 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.95 -29.02 55.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.343 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -93.72 0.31 56.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.546 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.0 -64.56 0.77 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.772 0.32 . . . . 0.0 111.43 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -79.94 -2.61 44.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.296 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.3 35.59 63.64 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.612 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.12 -46.74 66.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.736 0.303 . . . . 0.0 111.15 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.08 86.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.51 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 tp -64.08 -46.05 86.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.297 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.12 -45.17 86.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.205 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.409 ' HB3' ' CE1' ' A' ' 20' ' ' TYR . . . -56.99 -47.2 81.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.367 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.57 -52.21 66.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.16 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.6 t -58.01 -39.61 72.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.272 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.432 ' CG ' ' HG3' ' A' ' 52' ' ' PRO . 23.8 t80 -58.63 -45.27 89.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.21 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -35.61 80.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.947 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.417 ' HG ' ' CE1' ' A' ' 106' ' ' PHE . 4.4 mm? -77.97 -40.77 38.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.919 0.39 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -137.43 69.94 53.88 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.772 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.5 -25.82 34.82 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.554 2.17 . . . . 0.0 112.256 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.17 -4.74 90.12 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.796 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.2 mt -136.33 31.74 2.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.809 0.304 . . . . 0.0 111.174 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -141.99 161.53 37.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.967 0.413 . . . . 0.0 111.246 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -146.79 64.98 9.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.297 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.432 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 14.7 Cg_endo -56.44 -49.76 14.01 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.955 2.437 . . . . 0.0 112.655 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.4 m -53.91 -29.85 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.211 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 2.7 tt0 -71.62 -50.38 31.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.348 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.47 -9.7 58.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.921 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -60.48 -37.32 80.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.58 -26.56 3.08 Favored Glycine 0 N--CA 1.454 -0.135 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.864 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.411 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 2.2 mp -50.35 -35.3 27.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 0.0 111.354 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.48 150.17 6.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.727 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.39 -57.98 3.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.739 0.304 . . . . 0.0 111.06 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.5 mt -58.57 -37.69 76.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -41.68 83.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.97 -42.49 97.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.2 m -66.84 -50.67 61.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.55 96.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.028 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 22.0 t90 -66.97 -41.07 87.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.61 -39.21 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.205 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.03 -43.54 92.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.018 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -68.38 -48.22 65.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.1 p -68.35 -40.69 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.026 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.47 -44.85 76.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.051 0.453 . . . . 0.0 110.335 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 0.3 OUTLIER -69.85 -37.5 76.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.432 179.3 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -69.87 -41.04 75.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.305 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.03 -42.27 21.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.126 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.2 mp -100.78 -44.16 5.88 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 110.0 15.17 12.15 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.642 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.422 HD13 ' CE1' ' A' ' 102' ' ' PHE . 20.5 mt -86.06 115.15 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 111.064 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 m -74.08 129.53 84.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.07 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.91 138.51 77.88 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.509 2.139 . . . . 0.0 112.33 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.1 t -116.65 -19.9 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.531 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.4 t -131.69 159.5 43.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.772 0.32 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.0 157.96 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.6 91.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -55.71 -46.35 77.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.033 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.71 91.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.7 t -69.16 -51.03 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.8 t -62.57 -34.91 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.65 -13.44 51.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.512 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 56.73 33.58 63.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.523 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.12 38.74 1.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.359 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -164.02 74.16 1.71 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -61.94 -42.73 28.85 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.517 2.144 . . . . 0.0 112.338 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.53 -41.22 89.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.48 -39.63 60.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.535 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -42.41 94.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 15.2 mt -67.55 -41.11 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.67 85.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.44 ' CE2' ' CE1' ' A' ' 102' ' ' PHE . 2.9 t80 -65.44 -41.81 93.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.822 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.8 tp -58.78 -32.98 69.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.037 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.6 t -61.88 -45.77 92.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.412 ' CD2' HG22 ' A' ' 77' ' ' ILE . 1.8 t-80 -62.44 -45.26 93.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.44 ' CE1' ' CE2' ' A' ' 98' ' ' TYR . 4.9 m-85 -66.64 -45.49 78.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.504 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 19.0 t-160 -64.13 -51.25 64.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -29.41 70.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.03 -37.87 45.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.281 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.417 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 12.2 m-85 -80.65 -36.61 32.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.157 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -58.49 -35.99 73.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.014 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.6 m -64.89 -31.14 72.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.9 tpp . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.901 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 3.5 ttm . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.841 0.353 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 135.43 -172.44 22.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -158.97 105.01 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.31 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -61.17 161.15 9.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 1.6 t60 60.64 -171.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . 0.41 ' CE1' ' HA3' ' A' ' 1' ' ' GLY . 27.2 t-80 63.48 139.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -137.08 -63.89 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -128.36 161.82 28.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.2 mtm 60.51 95.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' HA3' ' CE1' ' A' ' -3' ' ' HIS . . . -169.75 35.38 0.18 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.435 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -133.27 -46.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.352 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.47 -30.36 18.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.18 -27.38 40.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.8 p -84.24 -43.76 14.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.38 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -63.44 -32.93 74.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.72 -46.92 85.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -66.49 -31.57 72.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.99 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tp -66.43 -48.48 69.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -34.82 76.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -64.4 -40.8 96.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.419 ' CH2' ' HA ' ' A' ' 103' ' ' HIS . 78.0 t90 -67.75 -42.53 81.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.039 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.69 -45.38 93.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -62.16 -40.58 96.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.002 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -66.25 -45.74 79.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.799 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -67.4 -29.27 68.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.7 m -88.3 7.5 31.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.346 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.9 129.95 34.79 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.801 0.334 . . . . 0.0 111.079 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.67 -24.8 1.65 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.601 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -89.75 121.34 69.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.473 0.178 . . . . 0.0 110.763 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.03 62.26 0.62 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.638 2.225 . . . . 0.0 112.618 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.93 38.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.446 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 p -121.85 120.68 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.966 0.412 . . . . 0.0 111.153 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 44.7 m170 -110.62 107.86 17.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.6 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.13 90.77 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.486 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.11 20.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.034 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -138.52 142.03 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.677 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.1 mt -95.07 37.12 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 t -167.3 -76.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.015 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.6 t -58.37 -21.4 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.307 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 t -68.13 -24.59 65.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.453 ' N ' ' CD1' ' A' ' 32' ' ' TRP . 3.4 m95 -107.84 16.62 23.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.271 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.38 -60.27 3.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.761 0.315 . . . . 0.0 111.092 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.7 p30 -86.47 5.99 32.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.206 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.85 28.96 63.85 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -44.48 71.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.815 0.34 . . . . 0.0 111.195 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.413 ' HB3' ' CZ3' ' A' ' 32' ' ' TRP . . . -68.85 -47.09 66.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.785 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.83 -46.66 88.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.395 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -38.29 70.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.39 77.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.805 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.6 mt -69.94 -51.33 33.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.763 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.6 t -59.03 -44.39 91.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.065 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 91.3 t80 -59.3 -37.92 78.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.982 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -41.18 99.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.456 ' CD2' ' CZ ' ' A' ' 106' ' ' PHE . 2.8 mm? -75.46 -37.4 60.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -140.81 77.72 21.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.415 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 48.7 Cg_endo -68.77 -16.14 41.43 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.607 2.204 . . . . 0.0 112.37 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.88 -20.08 51.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.776 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 25.4 mt -116.17 28.15 8.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 0.0 111.24 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.99 165.83 26.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.994 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -152.8 63.56 4.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.697 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -56.2 -30.43 79.81 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.874 2.383 . . . . 0.0 112.508 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.9 t -59.6 -42.46 92.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.435 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 6.8 mt-10 -71.71 -50.44 30.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.388 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.459 ' HA ' ' HB2' ' A' ' 58' ' ' LEU . 3.5 mm? -68.81 -10.26 55.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.731 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -64.23 -39.99 95.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.744 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.79 -11.41 11.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.979 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -57.44 -28.47 63.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.705 0.288 . . . . 0.0 110.677 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.69 169.72 13.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.71 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.76 -63.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 111.002 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.79 -37.57 76.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.3 -45.69 83.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.8 -43.64 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 m -67.34 -49.82 62.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.7 98.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.265 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -67.06 -49.94 63.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.8 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.61 89.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.51 -39.11 88.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -48.41 54.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.981 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.3 m -68.46 -46.1 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.022 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.25 -44.35 75.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.127 0.489 . . . . 0.0 110.277 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -69.56 -37.22 76.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.366 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -69.75 -41.14 75.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.411 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -80.85 -42.41 21.59 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.5 -34.95 15.37 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.76 29.68 12.94 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.299 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.3 mt -109.74 121.56 62.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.347 . . . . 0.0 111.093 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 m -76.53 124.13 87.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.423 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 51.9 Cg_exo -54.72 140.14 77.05 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.499 2.132 . . . . 0.0 112.228 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.73 8.15 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.447 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.7 p -149.07 146.22 17.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.826 0.346 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.71 148.17 38.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.55 91.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -43.67 75.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.069 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.85 -39.39 94.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.2 t -63.93 -46.88 92.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.297 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.1 t -73.44 -37.88 51.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.453 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.96 -13.48 53.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.642 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.37 35.76 73.27 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.422 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.7 p -84.89 -25.6 27.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.712 0.292 . . . . 0.0 111.163 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -117.39 80.47 12.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.994 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.61 -43.02 48.47 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.531 2.154 . . . . 0.0 112.098 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -36.32 76.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.98 -41.17 88.27 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.525 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.81 -43.26 99.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.309 . . . . 0.0 110.931 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.92 -41.2 84.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.54 77.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.301 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 79' ' ' PRO . 1.3 t80 -69.16 -39.92 78.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.413 HD23 ' CH2' ' A' ' 32' ' ' TRP . 3.6 mm? -62.37 -32.44 73.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.989 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -38.16 86.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -44.95 70.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.67 -34.38 75.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.419 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 64.5 t-80 -62.06 -42.8 99.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.1 p -63.74 -41.18 98.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.19 90.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.456 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 3.3 m-85 -65.8 -37.87 87.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -59.7 -30.57 68.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 m -98.46 -70.94 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 1.9 mmt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.766 0.317 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -147.84 -154.56 6.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.494 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -131.26 99.8 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -69.49 169.8 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -145.73 97.45 2.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.777 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -102.49 158.03 16.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -163.77 133.37 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -127.48 -66.14 0.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 5.6 mmt -99.03 140.89 32.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 152.5 -47.32 0.56 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.44 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -94.19 -37.61 11.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.829 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.21 -32.99 61.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.91 -39.48 94.99 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -82.59 -35.42 27.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -61.68 -43.26 99.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.67 -44.73 95.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.24 -39.94 96.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.2 mt -59.88 -41.05 90.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.738 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.49 -40.95 98.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.732 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -59.72 -41.14 90.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.815 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -67.77 -41.72 82.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.054 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 59.9 m -63.99 -45.65 88.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.259 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.458 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 3.8 pt20 -62.01 -35.08 77.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.059 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.18 -45.77 79.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.701 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -74.31 -27.95 60.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.458 ' OG1' ' HA ' ' A' ' 14' ' ' GLN . 33.2 p -89.02 7.48 34.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.384 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.96 125.41 30.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.772 0.32 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.77 -25.42 2.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.618 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -90.9 121.51 67.95 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.489 0.185 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.99 98.49 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.426 2.084 . . . . 0.0 112.391 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.67 -8.08 9.45 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.717 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 p -78.32 120.69 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 111.142 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -132.45 64.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.5 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.41 93.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.345 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.42 20.68 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -138.44 143.49 39.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.621 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 mt -97.07 38.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.02 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -161.27 -76.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.276 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.3 t -61.14 -43.38 98.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.406 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.89 -25.48 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.453 -179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -101.63 -0.91 33.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.625 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.1 -60.21 3.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.741 0.305 . . . . 0.0 111.318 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 p30 -79.46 -3.62 47.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.219 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.85 33.5 60.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.626 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.05 -42.86 56.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.659 0.266 . . . . 0.0 111.232 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.35 -47.49 83.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 0.0 111.21 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.3 mt -66.06 -46.05 79.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.704 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.418 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 4.9 m -61.56 -46.23 90.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.021 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.2 -40.56 70.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.04 -52.52 62.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.8 t -59.18 -49.62 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.25 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 68.8 t80 -55.41 -38.01 68.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.095 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -42.44 99.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.797 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.425 HD23 ' CD2' ' A' ' 106' ' ' PHE . 3.9 mm? -74.12 -34.71 64.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -151.21 80.93 6.3 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.774 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 56.7 Cg_endo -70.49 -37.3 7.59 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.515 2.143 . . . . 0.0 112.471 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.68 -34.53 89.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -94.57 20.94 7.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.52 0.2 . . . . 0.0 111.209 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -142.95 168.39 19.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.008 0.432 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 20.2 mt-10 -161.19 48.11 0.23 Allowed Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.612 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 20.5 Cg_endo -60.19 -16.86 42.71 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.695 2.263 . . . . 0.0 112.694 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.9 m -54.94 -42.2 72.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.502 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.7 -50.13 33.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.094 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.88 -9.79 58.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.793 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -60.49 -31.21 70.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 111.19 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.7 3.94 5.4 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.922 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.34 -27.07 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 111.023 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.85 140.49 3.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.53 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.23 -59.8 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 111.043 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.76 -37.83 83.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -62.46 -46.82 86.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.55 -42.09 92.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -50.73 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.052 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.13 -43.53 87.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -48.0 70.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.91 -46.58 90.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.37 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.84 -46.13 86.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -64.36 -48.18 76.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.209 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.39 -38.48 79.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.23 -46.45 75.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 110.764 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.472 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 13.8 pt-20 -70.19 -37.23 75.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.566 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.37 -41.35 76.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.338 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -42.47 20.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.986 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.4 -53.57 3.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 110.64 26.0 4.96 Favored Glycine 0 CA--C 1.517 0.158 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.281 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.2 mm -82.77 130.53 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.728 0.299 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.1 m -74.07 115.07 39.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.779 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.29 149.23 74.68 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.542 2.161 . . . . 0.0 112.278 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 t -141.55 17.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.301 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.3 m -149.75 160.44 4.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.842 0.353 . . . . 0.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.0 t -112.43 150.37 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.788 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.74 -43.5 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.167 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.31 -44.76 80.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.5 -38.36 80.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.8 t -66.66 -51.08 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.4 t -62.74 -31.19 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.205 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.21 -13.54 49.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.576 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.1 32.14 66.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.57 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.45 41.39 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.49 61.9 4.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.08 -42.8 27.59 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.609 2.206 . . . . 0.0 112.209 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.4 mt -58.55 -40.25 82.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.32 -37.4 90.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.371 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.82 -42.15 97.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.716 0.293 . . . . 0.0 110.786 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.6 mm -66.78 -44.27 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.067 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.76 90.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -68.94 -47.72 65.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.81 -34.06 72.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.827 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.1 t -63.03 -36.9 85.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.87 -39.31 61.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.766 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.408 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -67.46 -43.29 81.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.764 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.89 -48.2 82.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 m -57.94 -43.69 86.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.66 -37.37 73.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.425 ' CD2' HD23 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.67 -27.94 68.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -53.21 60.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.0 t -83.29 -31.94 26.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.7 tpt . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.895 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.86 0.362 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -60.92 146.35 47.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -70.59 139.16 51.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -69.83 146.15 51.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -85.33 140.97 30.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -80.47 -177.23 6.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 61.31 88.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 76.81 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.9 ptm -101.66 100.59 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 150.17 -47.65 0.6 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.565 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -85.47 -56.36 3.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.341 . . . . 0.0 111.068 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.36 -29.97 69.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.05 -26.81 74.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.613 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -84.64 -36.4 22.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.956 0.408 . . . . 0.0 111.012 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -63.51 -32.73 74.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.193 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.56 -46.9 86.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.309 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -67.86 -31.74 71.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.989 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.6 tp -72.02 -44.8 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.067 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.5 -45.91 88.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.16 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -60.82 -39.88 90.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.063 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.443 ' CD2' ' CD2' ' A' ' 103' ' ' HIS . 60.9 t90 -61.98 -40.01 94.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.5 m -69.13 -45.55 69.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -36.8 84.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -66.28 -45.67 79.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.722 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -69.71 -30.6 68.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.3 m -92.81 7.51 43.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.492 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.99 125.36 29.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.74 0.305 . . . . 0.0 111.028 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.3 -38.52 1.76 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -67.51 127.15 93.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.529 0.204 . . . . 0.0 110.773 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.99 110.33 2.9 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.429 2.086 . . . . 0.0 112.473 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.44 -25.05 16.33 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.404 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.2 t -79.16 120.67 30.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 0.0 111.148 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -127.68 83.81 2.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.785 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -77.31 103.73 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.277 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 m -151.06 22.85 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.956 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -138.13 147.81 44.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mt -97.15 37.91 1.29 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t -174.88 -77.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.32 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.1 m -54.05 -28.8 41.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.581 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -27.04 67.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.085 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.417 ' CH2' HD22 ' A' ' 99' ' ' LEU . 29.1 m95 -96.01 13.27 27.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.545 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.91 -55.82 29.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -87.68 6.97 32.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.274 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.86 33.56 87.35 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.701 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.84 -41.53 59.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 111.276 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.403 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -62.26 -47.27 85.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.244 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.3 tp -68.27 -42.08 80.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.739 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.411 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 3.1 m -64.03 -47.39 80.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.66 -42.22 74.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.223 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.69 -52.36 65.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.0 t -60.99 -45.68 98.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.237 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.408 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 35.6 t80 -55.09 -38.04 67.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.041 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -66.84 -42.01 86.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.454 ' CD2' ' CZ ' ' A' ' 106' ' ' PHE . 3.8 mm? -78.26 -31.46 49.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.246 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -144.67 68.62 14.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.017 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.408 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 57.1 Cg_endo -70.82 -27.55 21.3 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.535 2.157 . . . . 0.0 112.136 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.27 -4.89 89.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.746 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.6 mt -129.56 26.29 5.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.814 0.307 . . . . 0.0 111.207 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.6 154.47 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.994 0.426 . . . . 0.0 111.008 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 2.3 mm-40 -141.44 47.22 0.97 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.781 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 18.8 Cg_endo -58.91 -17.36 36.67 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.611 2.207 . . . . 0.0 112.714 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -57.17 -44.27 83.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.982 0.42 . . . . 0.0 110.62 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -71.68 -50.12 33.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.899 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mp -70.29 -9.9 57.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.721 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.47 -33.63 72.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.736 0.303 . . . . 0.0 111.106 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.6 4.73 6.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.753 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -27.28 24.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.0 125.14 0.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.655 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.31 -59.46 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.046 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.04 -37.64 85.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.79 -45.87 92.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.9 95.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.217 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -50.68 59.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.992 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.44 97.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -40.12 87.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.012 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.54 -39.63 73.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.32 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.88 -41.02 97.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.201 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.86 -48.46 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.331 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.3 m -68.28 -44.94 83.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.451 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.32 -46.09 76.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.974 0.416 . . . . 0.0 110.393 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.489 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 1.3 tt0 -69.86 -37.57 76.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.358 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.6 -41.26 79.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.502 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -42.39 21.27 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.66 -40.34 8.65 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 96.77 26.56 10.45 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.429 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.9 tt -81.88 127.78 39.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.822 0.344 . . . . 0.0 111.199 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 t -74.14 115.13 39.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.58 141.03 64.49 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.408 2.072 . . . . 0.0 112.339 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.82 -13.98 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.504 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.7 m -147.07 160.48 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 111.062 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 m -86.27 158.98 19.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.76 93.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -57.27 -41.62 80.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.57 96.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.3 t -64.24 -51.01 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.8 t -62.26 -31.37 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.256 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.74 -13.6 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.618 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.49 36.75 64.69 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.528 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.93 30.89 6.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 0.0 110.869 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -150.53 64.45 6.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -57.07 -42.89 58.95 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.64 2.227 . . . . 0.0 112.192 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.32 -36.89 85.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.51 -39.59 60.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -43.2 97.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.948 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.9 mt -67.76 -41.22 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.015 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.51 92.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.92 -41.99 86.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.764 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.417 HD22 ' CH2' ' A' ' 32' ' ' TRP . 3.5 mm? -60.8 -33.88 73.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.822 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.6 p -60.12 -36.96 78.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.5 -48.03 43.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -32.78 73.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.715 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.443 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 5.6 t-80 -60.69 -50.56 72.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.998 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -34.83 78.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.037 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.98 -44.49 84.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.043 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.454 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 3.3 m-85 -66.0 -33.45 75.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -64.64 -31.48 72.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.7 p -106.49 30.89 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 ttt . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.909 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 3.1 mtt . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.861 0.362 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -152.54 131.3 3.32 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -111.71 156.2 22.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -136.65 -47.29 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -87.09 -31.7 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 60.72 164.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 54.2 t60 60.67 32.44 20.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -110.62 156.12 21.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.8 ttt -166.34 158.32 13.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 100.37 -25.75 27.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.592 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -96.83 -33.42 11.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.68 -29.87 22.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.074 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.18 -27.97 59.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.614 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -79.05 -30.82 44.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.884 0.373 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -59.62 -44.5 93.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -64.18 -46.76 82.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.36 -40.44 97.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.8 mt -66.54 -39.03 88.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.32 -45.5 91.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -59.8 -44.39 94.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.018 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -67.52 -36.74 81.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.51 -45.45 75.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.291 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 15' ' ' GLU . 5.1 pt20 -65.73 -35.42 80.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.152 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 1.4 tp10 -66.32 -45.73 79.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.379 . . . . 0.0 110.743 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -65.38 -31.93 73.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.044 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.406 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 31.1 m -91.52 7.43 41.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.538 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.96 125.44 32.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.19 -15.96 2.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.777 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -94.65 121.69 62.5 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.621 0.21 . . . . 0.0 110.752 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.64 60.98 1.65 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.572 2.181 . . . . 0.0 112.739 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.91 37.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.958 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.5 t -140.54 120.95 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.249 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -117.32 119.24 34.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.406 ' CG2' ' CG2' ' A' ' 17' ' ' THR . 16.1 t -105.44 38.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.54 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t -96.43 19.89 11.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 111.12 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -138.15 138.06 38.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.24 36.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.133 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -164.19 -76.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 111.076 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -56.24 -27.22 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.388 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.424 ' OG ' ' CD1' ' A' ' 32' ' ' TRP . 4.1 p -68.38 -29.93 68.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.848 0.356 . . . . 0.0 111.042 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.424 ' CD1' ' OG ' ' A' ' 31' ' ' SER . 7.5 m95 -98.07 4.76 49.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.398 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.79 -64.77 0.71 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.698 0.285 . . . . 0.0 111.308 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -79.42 -2.19 40.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.345 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.28 32.24 52.53 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.577 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -73.08 -41.57 63.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 111.029 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.419 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -61.36 -47.17 87.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.101 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -46.02 87.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -33.38 73.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.28 93.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.986 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 106' ' ' PHE . 3.3 mt -70.22 -52.56 22.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.253 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.4 t -59.25 -48.0 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.017 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.475 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 90.0 t80 -56.55 -37.71 70.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.945 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -43.2 99.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.426 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 1.0 OUTLIER -76.06 -42.47 47.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.699 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -144.17 81.66 11.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.513 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.475 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 63.0 Cg_endo -73.78 -35.24 4.63 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.582 2.188 . . . . 0.0 112.302 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.86 -20.95 70.97 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.358 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -91.63 -8.92 45.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 mp -148.62 131.79 16.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.92 0.39 . . . . 0.0 111.479 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.47 81.51 0.45 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.502 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.43 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 19.0 Cg_endo -57.91 -37.99 94.05 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.8 2.334 . . . . 0.0 112.723 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -54.06 -36.02 62.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.288 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.406 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 6.7 tt0 -71.61 -50.22 32.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.534 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.419 HD13 ' CD2' ' A' ' 66' ' ' TRP . 5.8 mt -79.75 -9.57 59.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.983 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.43 -34.94 74.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.722 0.296 . . . . 0.0 111.551 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.11 -23.05 3.06 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.915 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 1.3 mp -55.07 -35.16 64.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 0.0 111.18 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.07 148.44 6.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.752 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.72 -56.11 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 tt -58.59 -43.73 89.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -64.27 -41.1 97.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.9 -43.59 95.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -50.57 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.49 98.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.419 ' CD2' HD13 ' A' ' 55' ' ' LEU . 7.4 t90 -66.83 -41.89 86.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.981 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.23 -39.95 74.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.317 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.14 -46.04 82.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.418 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.87 -48.61 73.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 111.299 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.0 t -68.7 -43.53 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.62 -46.24 77.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.927 0.394 . . . . 0.0 110.458 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.412 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 10.6 pt-20 -69.92 -37.31 75.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.556 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.407 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 2.7 m120 -69.63 -41.67 75.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.431 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.31 -42.4 20.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.99 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.58 -42.43 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 100.56 25.0 8.92 Favored Glycine 0 CA--C 1.518 0.238 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.684 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 35.7 mm -91.52 125.77 44.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.806 0.336 . . . . 0.0 111.128 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m -74.1 123.31 89.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.19 142.94 77.16 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.481 2.121 . . . . 0.0 112.355 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.61 4.78 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.663 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.7 m -149.77 150.63 13.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.815 0.34 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 m -86.89 147.64 25.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.11 -43.66 87.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.221 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -59.16 -37.1 76.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.005 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.52 -45.27 72.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.158 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.03 -48.7 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.344 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.4 p -61.35 -35.75 68.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.23 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.66 -13.38 39.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.487 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.33 34.6 85.56 Favored Glycine 0 C--N 1.33 0.201 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.4 m -107.46 30.99 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.72 0.295 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.6 70.24 10.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.07 -42.83 27.47 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.608 2.205 . . . . 0.0 112.276 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.85 -44.58 94.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.763 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.49 -32.55 84.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.324 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.421 HD21 ' CE2' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -64.55 -43.16 94.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.913 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.5 mm -64.91 -44.3 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.73 93.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.064 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -69.28 -46.45 67.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -32.6 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -44.08 84.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -62.58 -47.9 81.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 1.0 OUTLIER -62.73 -34.05 76.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -66.23 -47.68 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.54 -41.97 92.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.02 92.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 41' ' ' LEU . 3.3 m-85 -65.82 -42.44 90.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -44.97 94.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.74 -51.75 60.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 95.04 -166.52 26.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 21.3 m80 60.8 155.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -135.91 -55.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -117.78 105.7 12.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.74 140.76 11.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -110.3 164.01 13.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 118.47 20.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.793 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 178.75 -33.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -89.52 21.89 26.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.932 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 m -105.52 -41.12 5.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.903 0.382 . . . . 0.0 110.681 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.03 -29.88 18.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.96 -23.36 78.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.569 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -41.15 84.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.899 0.381 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -63.59 -32.96 74.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -62.69 -46.81 86.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -67.29 -31.77 72.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.65 -45.69 74.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.787 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.28 -34.93 78.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -65.96 -38.52 88.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.958 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 103' ' ' HIS . 77.2 t90 -66.33 -48.1 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.051 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.9 t -63.41 -45.52 90.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.033 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -67.85 -34.79 77.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.95 -45.54 85.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.6 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -65.74 -36.93 84.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 t -88.45 7.52 32.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.391 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.26 125.34 30.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.774 0.321 . . . . 0.0 111.046 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.81 -28.35 3.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.542 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -76.43 133.08 71.56 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.508 0.194 . . . . 0.0 110.832 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.39 103.14 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.435 2.09 . . . . 0.0 112.362 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.1 24.01 5.89 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.3 t -129.84 120.64 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.023 0.44 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -135.54 77.42 1.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.799 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.8 t -74.88 108.29 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.312 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.35 23.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 31' ' ' SER . 2.5 m-20 -138.17 154.38 49.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.719 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 2.3 mm? -97.83 37.73 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.025 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 t -175.72 -80.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.399 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.5 m -55.94 -24.01 35.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.561 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 0.5 OUTLIER -66.97 -31.03 71.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.123 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.451 ' N ' ' CD1' ' A' ' 32' ' ' TRP . 6.5 m95 -103.11 20.18 18.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.248 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.15 -56.68 18.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.28 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 p30 -82.94 1.26 40.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.446 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.09 27.81 73.57 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.563 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.05 -35.32 61.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.765 0.317 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.416 ' HB2' ' CE3' ' A' ' 32' ' ' TRP . . . -62.01 -47.17 85.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.059 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.71 -44.03 82.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -36.5 81.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.812 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.79 -48.71 80.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.423 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 5.7 mt -61.18 -47.38 86.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.814 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 t -57.92 -41.68 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -61.44 -37.86 85.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -40.25 96.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.422 HD23 ' CD2' ' A' ' 106' ' ' PHE . 4.1 mm? -84.82 -31.93 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.002 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -140.78 70.35 30.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.789 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.01 -27.0 30.57 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.534 2.156 . . . . 0.0 112.304 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.57 -4.39 90.4 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.702 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 mt -133.9 34.89 3.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.846 0.323 . . . . 0.0 111.183 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.72 160.18 43.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -143.41 64.39 13.73 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.564 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.34 -36.79 94.49 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.779 2.319 . . . . 0.0 112.507 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.1 p -60.3 -40.24 89.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.929 0.395 . . . . 0.0 110.723 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.57 -50.37 31.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.035 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.8 -13.1 61.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.38 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -63.61 -39.96 95.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.783 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.75 -14.54 8.62 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.994 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.41 -27.94 57.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.672 0.272 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.47 162.92 10.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.64 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.15 -66.57 0.7 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.918 0.39 . . . . 0.0 111.021 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.9 mp -59.54 -37.62 78.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.81 -44.42 96.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.78 -43.78 95.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -50.72 58.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.61 98.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.39 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -66.95 -49.72 64.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.933 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.32 93.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.51 -45.0 85.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.239 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -63.86 -48.51 76.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.064 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.1 p -68.42 -44.0 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.044 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.12 -45.41 75.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.045 0.45 . . . . 0.0 110.417 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.476 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 1.0 OUTLIER -69.89 -37.39 76.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.403 179.338 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -69.5 -41.21 76.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.44 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -42.38 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.65 -47.63 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 116.57 13.78 7.87 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.641 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.0 mm -83.7 106.07 13.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.64 0.257 . . . . 0.0 111.007 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.6 t -73.94 132.03 80.66 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.63 138.91 58.41 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.455 2.103 . . . . 0.0 112.366 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.14 -17.79 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.513 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.55 148.73 24.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 111.079 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.5 m -75.77 148.73 38.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.64 87.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -57.66 -39.2 76.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.48 -45.46 72.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.31 -51.04 77.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.294 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.89 -33.22 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.259 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.06 -13.36 53.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.598 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.49 31.83 67.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 p -106.05 31.35 5.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.98 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -154.66 67.94 5.54 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.04 -42.75 28.2 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.571 2.18 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.6 -44.12 89.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.99 -35.49 84.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.681 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.7 tp -60.12 -43.23 95.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.3 mm -67.8 -46.95 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.2 79.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -68.1 -47.64 67.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.024 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.16 -32.62 68.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.0 m -63.51 -36.84 85.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -74.65 -48.12 28.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.424 ' CE2' ' CZ ' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -62.83 -41.08 99.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.864 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.421 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 3.8 t60 -67.43 -44.23 79.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.9 m -66.63 -43.59 84.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.97 -44.41 85.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.19 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.424 ' CZ ' ' CE2' ' A' ' 102' ' ' PHE . 4.0 m-85 -68.69 -28.86 67.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.06 -34.01 76.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.68 30.32 5.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.853 0.359 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 174.31 -139.19 4.81 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.96 164.55 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -100.99 -46.48 5.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 32.17 19.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -162.94 150.28 13.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.782 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -158.78 71.75 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -114.06 -30.05 6.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.6 179.53 4.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 108.24 -30.07 9.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.534 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.79 -34.39 19.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.58 -42.21 14.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.21 -23.82 71.68 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.617 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -58.77 6.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.347 . . . . 0.0 110.97 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -63.62 -32.9 74.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -63.4 -46.82 84.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.305 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 2.7 pt-20 -62.52 -31.63 72.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.223 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 31.3 mt -66.6 -48.83 68.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.53 -38.88 92.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -59.8 -41.45 91.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -67.77 -36.49 80.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.157 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m -68.9 -45.48 70.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.406 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.432 ' HA ' HG23 ' A' ' 17' ' ' THR . 4.0 pt20 -67.29 -35.36 79.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.136 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 1.3 mt-10 -66.43 -45.68 79.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 111.011 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -65.29 -34.15 77.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.251 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.432 HG23 ' HA ' ' A' ' 14' ' ' GLN . 14.8 t -86.73 7.5 26.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.474 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.23 125.37 32.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 111.131 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.66 -22.58 2.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.694 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -81.62 140.02 47.66 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.669 0.271 . . . . 0.0 110.809 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.32 59.96 3.21 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.668 2.246 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.62 38.51 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.257 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.0 p -113.8 120.82 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 111.08 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -140.58 94.73 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.653 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.79 109.08 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.221 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -150.12 23.0 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.984 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.16 162.02 35.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.858 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -108.8 43.38 1.26 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.025 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.0 m -166.39 -79.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.9 m -65.75 -35.09 79.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.949 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.94 -24.18 22.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.351 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.41 ' CZ3' ' HB2' ' A' ' 37' ' ' ALA . 30.1 m95 -108.66 7.99 26.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.486 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.99 -60.81 2.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.632 0.253 . . . . 0.0 111.478 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.3 p30 -79.46 -2.83 43.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.445 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.42 35.99 92.06 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.574 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -39.57 86.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.791 0.329 . . . . 0.0 111.133 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.41 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . . . -64.58 -47.01 80.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.512 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mp -61.67 -46.09 91.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.156 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -67.22 -42.59 83.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.917 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.98 -47.36 83.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.97 -52.35 65.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.0 t -58.47 -42.37 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.429 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 72.7 t80 -61.1 -37.88 84.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -40.36 97.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.831 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.453 ' CD2' ' CE2' ' A' ' 106' ' ' PHE . 4.3 mm? -78.97 -35.99 42.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -144.25 75.86 15.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.717 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.429 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 43.0 Cg_endo -67.88 -26.56 37.95 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.571 2.18 . . . . 0.0 112.484 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.03 -28.61 68.21 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 mt -111.51 35.75 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.685 0.278 . . . . 0.0 111.205 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.11 164.4 34.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.368 . . . . 0.0 111.005 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -152.54 64.83 5.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.67 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.88 -26.06 72.4 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.717 2.278 . . . . 0.0 112.406 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -64.76 -41.46 95.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.656 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.55 -50.13 34.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.015 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 58' ' ' LEU . 18.4 mt -64.98 -14.2 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.372 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -40.04 95.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.888 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.03 -9.21 16.31 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.373 -0.918 . . . . 0.0 113.014 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -57.34 -29.19 63.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 110.663 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 139.88 174.62 13.84 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.663 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.66 -63.09 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 111.165 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -37.56 87.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.78 -46.82 77.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 55' ' ' LEU . . . -67.84 -43.91 78.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.149 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.6 m -67.44 -50.58 58.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.223 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.43 98.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.425 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.422 ' CH2' HG23 ' A' ' 70' ' ' VAL . 27.0 t90 -66.91 -49.94 63.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.041 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.41 82.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.352 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.9 -40.34 94.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.292 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -70.9 -48.47 53.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.242 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.422 HG23 ' CH2' ' A' ' 66' ' ' TRP . 23.8 t -68.71 -46.75 79.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.154 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.3 -44.26 75.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.044 0.449 . . . . 0.0 110.257 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.418 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 2.1 tm-20 -69.78 -37.28 76.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.402 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -70.85 -41.4 71.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.643 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -81.16 -42.3 21.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 35.3 mt -93.18 -33.14 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 93.41 20.77 31.31 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.406 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.4 mt -92.27 116.34 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.803 0.335 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 t -74.16 136.93 75.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.35 142.95 78.6 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.496 2.131 . . . . 0.0 112.385 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.3 t -113.87 -26.72 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.259 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.4 p -138.09 159.08 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.949 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 t -75.52 154.48 36.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.987 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.64 91.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -60.43 -37.05 79.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.984 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.58 -46.32 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.443 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.1 p -70.42 -44.91 76.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.41 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.59 -38.11 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.42 53.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.476 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.72 31.34 80.58 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.35 31.1 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.666 0.27 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -161.39 77.24 2.32 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.97 -38.1 60.4 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.654 2.236 . . . . 0.0 112.228 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.3 -38.81 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.829 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.81 -38.8 56.3 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.04 -43.18 95.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.76 0.314 . . . . 0.0 110.939 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 59.2 mt -67.91 -41.39 84.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.959 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.81 -40.16 83.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.049 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -66.73 -46.58 75.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.45 -38.63 77.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 53.1 m -60.19 -45.64 92.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.017 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -44.21 90.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.94 -41.45 82.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -65.86 -41.45 91.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.961 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 53.9 p -60.17 -43.85 95.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.16 -42.68 45.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.453 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 3.3 m-85 -65.87 -31.18 71.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -64.76 -48.79 73.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -41.67 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.805 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 38.3 mtt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.84 0.353 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -98.32 -28.79 7.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.474 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -68.17 178.7 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -149.34 153.13 36.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 60.36 94.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.28 -14.55 59.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.301 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 69.96 -66.83 0.26 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -103.96 28.62 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.969 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 30.0 tpp -175.02 36.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.81 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -145.98 -72.28 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -67.35 -31.65 72.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.22 -40.07 53.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.95 -27.81 63.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 p -72.45 -22.28 61.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.746 0.308 . . . . 0.0 111.066 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -56.74 -32.89 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.148 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -62.75 -46.91 85.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.111 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.54 -31.64 67.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -68.37 -47.61 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -34.86 78.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.778 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -65.93 -38.0 87.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.414 ' CD2' ' CD2' ' A' ' 103' ' ' HIS . 42.4 t90 -67.66 -38.91 84.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.74 -45.43 86.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -67.42 -38.97 85.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.32 -45.71 79.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.516 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -66.62 -31.25 71.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.723 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.3 m -88.44 7.36 33.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.313 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.58 128.93 34.17 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.787 0.327 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.21 -24.31 2.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.622 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.427 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 34.6 m-85 -85.45 121.43 73.61 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.393 0.139 . . . . 0.0 110.739 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 16.7 Cg_exo -67.64 61.19 0.83 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.61 2.207 . . . . 0.0 112.698 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.86 40.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.769 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -140.54 120.84 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 111.078 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -122.62 127.67 49.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.773 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 t -121.02 98.34 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.332 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -152.47 23.95 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -138.01 148.13 44.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.732 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -96.3 36.91 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.281 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 t -170.44 -80.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.81 0.338 . . . . 0.0 111.398 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -54.4 -25.85 27.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.527 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -27.79 68.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.076 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.438 ' N ' ' CD1' ' A' ' 32' ' ' TRP . 3.8 m95 -110.84 18.08 19.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.26 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.02 -56.3 23.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.697 0.284 . . . . 0.0 111.201 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -87.39 7.68 27.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.43 29.3 74.0 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.878 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.09 -38.7 61.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 111.18 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.4 85.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.281 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -45.92 81.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -34.45 77.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.736 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.72 95.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 mp -66.74 -52.28 46.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 t -58.82 -47.86 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 69.8 t80 -55.32 -37.99 68.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -43.0 99.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.774 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.408 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.3 mm? -77.46 -33.43 54.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.803 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.14 81.44 6.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.504 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.476 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 55.4 Cg_endo -70.2 -36.97 8.71 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.476 2.117 . . . . 0.0 112.497 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.11 -29.23 74.35 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.92 24.02 5.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.575 0.226 . . . . 0.0 111.495 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mp -153.97 176.42 12.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.408 . . . . 0.0 111.286 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -157.25 61.84 2.47 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.611 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.427 ' CD ' ' CD1' ' A' ' 43' ' ' TYR . 10.4 Cg_endo -53.47 -34.51 72.28 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.875 2.383 . . . . 0.0 112.409 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.8 p -55.69 -45.07 77.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -71.62 -50.22 32.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.226 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.43 ' HB3' ' HA ' ' A' ' 63' ' ' ALA . 2.0 mt -67.72 -14.48 62.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.507 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -60.74 -39.77 89.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.471 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.81 -17.62 5.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.796 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.07 -30.58 48.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.961 0.41 . . . . 0.0 110.906 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.46 156.42 7.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.567 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.49 -55.6 5.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.782 0.325 . . . . 0.0 111.033 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.24 -37.41 77.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -70.04 -45.22 67.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.037 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.43 ' HA ' ' HB3' ' A' ' 55' ' ' LEU . . . -63.8 -44.01 94.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.196 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.8 t -67.59 -47.52 69.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.37 -43.51 85.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.342 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.411 ' CE3' HD12 ' A' ' 55' ' ' LEU . 19.6 t90 -66.9 -41.59 86.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.823 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.46 -37.87 74.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.68 -40.89 92.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.048 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -70.47 -48.34 56.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.1 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.8 m -68.25 -42.36 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.87 76.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.087 0.47 . . . . 0.0 110.241 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 29.1 tt0 -69.84 -37.34 76.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.415 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -71.0 -41.42 70.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.472 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -81.14 -42.35 21.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.022 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 tt -91.14 -33.76 15.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 83.0 34.99 19.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.354 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.7 tt -111.11 128.98 67.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.858 0.361 . . . . 0.0 111.18 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 m -74.3 124.07 89.64 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.416 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 49.6 Cg_exo -55.64 155.0 23.12 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.412 2.075 . . . . 0.0 112.323 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.27 -1.92 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.768 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.9 159.11 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.809 0.338 . . . . 0.0 111.084 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 m -84.4 158.01 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.58 92.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.327 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -33.33 75.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.072 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.36 -46.27 70.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.392 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.0 m -64.42 -40.92 90.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.43 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.1 t -69.86 -32.66 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.0 -13.52 38.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.553 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.12 31.36 68.83 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.556 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -98.64 31.95 2.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.3 75.62 3.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -62.08 -42.8 27.61 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.633 2.222 . . . . 0.0 112.211 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.3 -39.02 93.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.98 -44.26 91.98 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.97 -42.82 94.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.5 mt -67.63 -41.12 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.33 97.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.416 ' CE1' ' HA ' ' A' ' 79' ' ' PRO . 2.4 t80 -69.13 -40.01 78.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -41.24 86.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.2 t -60.39 -36.76 78.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -42.51 89.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -62.71 -35.88 81.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.414 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 10.4 t-80 -64.26 -41.6 96.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.5 m -56.43 -41.31 76.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.02 -40.24 22.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.408 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.76 -38.99 90.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -71.35 -46.6 60.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.42 -65.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.148 -0.929 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 33.1 mmt . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 147.98 150.04 5.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -72.67 66.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -114.87 108.89 17.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 7.6 m170 60.79 166.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.03 -169.2 1.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.86 130.1 42.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -67.38 108.57 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.5 ttt -148.67 118.94 7.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.825 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -164.94 -67.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -62.33 -42.71 99.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.57 17.68 12.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.34 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.07 -36.37 0.76 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.3 p -87.17 -31.37 20.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -63.6 -32.69 74.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.76 -46.86 86.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.119 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -65.59 -31.63 72.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.03 -46.02 79.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.733 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.99 -34.88 78.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -41.27 97.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -67.56 -36.87 81.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.11 -45.52 84.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.011 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.15 -36.51 81.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -45.51 79.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -69.39 -30.73 68.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.7 m -94.24 7.56 44.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.512 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.67 129.42 34.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.874 0.368 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.73 -26.03 2.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.673 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -86.36 121.33 72.46 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.465 0.174 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.79 101.82 0.4 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.379 2.053 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.5 22.75 4.31 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.433 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 p -111.02 120.37 61.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.053 0.454 . . . . 0.0 111.061 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -117.75 73.49 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.564 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 t -72.6 94.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.419 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -151.25 20.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -138.4 141.64 39.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.56 36.85 1.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 t -165.63 -68.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -61.17 -37.15 81.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 62.5 m -55.07 -26.77 39.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.277 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.415 ' CD1' ' N ' ' A' ' 32' ' ' TRP . 4.6 m95 -104.18 8.72 36.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.414 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.43 -58.7 6.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.71 0.29 . . . . 0.0 111.301 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 p30 -79.44 -3.35 46.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.335 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.92 26.0 63.32 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.744 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -36.3 61.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.726 0.298 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.404 ' HB2' ' CE3' ' A' ' 32' ' ' TRP . . . -63.9 -47.13 81.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.277 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 tp -68.43 -46.09 70.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.8 m -66.25 -37.49 85.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.783 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.78 93.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.973 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 106' ' ' PHE . 16.9 mt -62.91 -52.36 63.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.756 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 t -59.89 -42.63 89.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.439 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 81.0 t80 -60.05 -37.82 80.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.66 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -41.47 99.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.549 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' CD2' ' CE2' ' A' ' 106' ' ' PHE . 4.3 mm? -75.59 -30.43 59.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.86 82.59 6.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.597 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.439 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 50.7 Cg_endo -69.41 -26.05 29.63 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.6 2.2 . . . . 0.0 112.596 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.11 -33.87 43.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.653 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 mt -99.13 27.58 5.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.715 0.293 . . . . 0.0 111.255 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -142.1 164.47 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 111.019 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -154.7 64.51 4.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.36 -46.19 29.58 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.854 2.369 . . . . 0.0 112.581 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.9 p -55.04 -30.9 60.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.202 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.407 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 25.1 tt0 -71.5 -50.02 35.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.364 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.413 HD12 ' CE3' ' A' ' 66' ' ' TRP . 1.1 mt -84.2 -9.74 58.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.683 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -60.33 -35.48 75.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.547 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -118.47 -25.14 2.98 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.033 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 1.9 mp -52.98 -35.21 58.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 111.283 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.45 149.98 6.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.691 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.13 -55.15 5.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.085 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.57 -40.41 83.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.38 -35.38 73.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.403 ' HA ' ' HB3' ' A' ' 55' ' ' LEU . . . -67.06 -43.73 81.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.26 -50.61 65.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.73 -43.41 90.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.413 ' CE3' HD12 ' A' ' 55' ' ' LEU . 1.6 t90 -66.79 -44.94 79.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.58 94.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.271 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.01 -44.05 93.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.293 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -68.67 -48.41 64.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.349 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.8 m -68.26 -40.66 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.298 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.12 78.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.975 0.417 . . . . 0.0 110.442 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.517 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 5.2 tm-20 -69.87 -37.43 76.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.567 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -69.52 -41.21 76.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.384 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.22 -42.32 20.95 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.17 -42.11 6.16 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.517 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 96.56 28.3 9.1 Favored Glycine 0 N--CA 1.454 -0.115 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.235 -179.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.41 HD11 ' CD2' ' A' ' 101' ' ' HIS . 0.5 OUTLIER -93.41 122.51 44.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 111.044 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.9 m -74.18 115.17 40.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 44.3 Cg_endo -68.26 122.35 9.38 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.473 2.115 . . . . 0.0 112.208 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.0 t -102.52 19.29 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.424 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -149.75 147.97 15.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.828 0.347 . . . . 0.0 111.031 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.5 m -82.87 159.92 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.55 92.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -63.52 -33.87 76.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.55 -46.29 69.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.255 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.56 -41.47 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.186 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.74 -36.41 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.968 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.58 -13.46 37.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.504 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.0 28.34 60.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.609 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 t -79.06 -32.47 44.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.775 0.322 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.52 78.17 0.66 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.04 -42.8 27.86 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.491 2.127 . . . . 0.0 112.223 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.3 mt -58.41 -41.15 84.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.838 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.04 -37.66 93.34 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.38 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -42.72 96.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.9 mm -65.24 -41.16 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.59 92.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.425 ' CE1' ' HA ' ' A' ' 79' ' ' PRO . 11.2 t80 -69.27 -38.69 78.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.81 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -38.57 77.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 t -60.41 -42.02 95.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.776 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.41 ' CD2' HD11 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -64.72 -41.9 95.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -43.28 78.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -62.79 -43.19 99.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.8 m -58.59 -33.13 69.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.43 -44.29 17.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.446 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 3.2 m-85 -66.84 -33.07 74.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.04 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tptt -73.98 -31.36 62.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 m -90.06 -33.23 16.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 46.2 mtm . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.903 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 8.9 ttm . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.752 0.31 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 71.51 175.67 23.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.49 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -157.68 76.86 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.817 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -158.77 77.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 179.01 6.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -70.58 -60.57 2.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -114.91 128.33 56.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -108.31 -51.49 2.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -90.1 167.75 12.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 132.43 -28.53 3.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.547 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.36 -36.57 11.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.75 -30.83 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.67 -50.46 30.64 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -45.08 94.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.883 0.373 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -32.87 74.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.051 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.44 -46.87 68.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.478 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -65.42 -31.67 72.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 111.097 -179.799 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 69.2 mt -67.13 -46.34 74.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.32 -34.8 78.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -65.99 -38.34 88.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -67.65 -39.22 84.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -69.48 -45.45 68.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -60.91 -38.88 87.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -66.34 -45.49 80.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.798 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -68.37 -28.04 66.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.0 m -91.21 3.59 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.505 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.31 134.44 34.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.912 0.387 . . . . 0.0 111.079 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.77 -24.4 3.02 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.695 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -86.14 141.61 35.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.604 0.24 . . . . 0.0 110.969 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.33 62.77 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.592 2.195 . . . . 0.0 112.353 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.87 40.21 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.138 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.9 p -93.01 120.83 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.977 0.418 . . . . 0.0 111.274 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.89 74.48 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.369 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -99.17 90.48 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.591 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -147.08 21.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -138.1 148.59 45.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mp -102.07 40.2 1.37 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.102 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 t -174.0 -80.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.383 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -56.36 -22.14 29.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.449 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -30.67 71.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.164 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.418 ' CE3' ' HB1' ' A' ' 37' ' ' ALA . 6.4 m95 -95.54 13.54 25.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.484 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.55 -58.13 9.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.655 0.264 . . . . 0.0 111.281 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 p30 -79.42 -2.11 40.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.395 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.31 32.29 75.64 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.647 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -74.94 -40.54 60.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.418 ' HB1' ' CE3' ' A' ' 32' ' ' TRP . . . -59.99 -47.26 86.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.356 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.84 -46.03 76.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.01 -42.08 97.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.023 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.66 -46.96 83.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.295 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.52 -52.41 65.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.33 -43.29 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.459 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 72.2 t80 -59.37 -38.0 79.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.809 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -63.0 -41.97 99.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.709 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.437 ' CD2' ' CE2' ' A' ' 106' ' ' PHE . 4.1 mm? -78.6 -36.38 44.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.693 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -145.55 78.86 11.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.494 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.459 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 56.6 Cg_endo -70.78 -40.24 3.89 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.575 2.183 . . . . 0.0 112.566 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.97 -30.83 70.8 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.41 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 49' ' ' LEU . 2.8 mm? -96.25 24.81 5.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.597 0.237 . . . . 0.0 111.305 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.35 173.09 15.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.935 0.398 . . . . 0.0 111.249 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -158.83 59.16 1.41 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.582 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.434 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 10.5 Cg_endo -53.11 -31.29 53.83 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.095 2.53 . . . . 0.0 112.553 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.91 -47.26 71.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.285 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 4.0 mt-10 -71.72 -50.22 32.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.461 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.72 -9.77 57.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.005 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.421 ' HG3' ' CD1' ' A' ' 36' ' ' LEU . 12.5 tt0 -60.48 -39.81 89.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.7 0.286 . . . . 0.0 111.316 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.26 -14.12 5.58 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.837 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -60.34 -28.82 68.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.797 0.332 . . . . 0.0 110.805 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.02 151.36 6.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.915 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.46 -56.2 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.958 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.81 -37.63 82.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -64.38 -45.29 88.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.74 -43.63 95.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.43 -45.23 76.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.164 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.36 -43.72 93.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.451 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -50.02 63.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.382 . . . . 0.0 111.025 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.4 -40.23 95.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.264 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -45.52 88.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.192 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -66.91 -48.42 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.184 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.7 t -68.48 -38.8 79.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.191 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.15 79.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 0.0 110.576 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.482 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 13.2 pt-20 -70.09 -37.16 75.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.511 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -69.83 -41.28 75.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.384 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -42.28 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.196 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.6 mt -96.99 -38.71 9.68 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.482 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 94.7 25.68 14.8 Favored Glycine 0 CA--C 1.517 0.188 0 C-N-CA 120.35 -0.928 . . . . 0.0 112.231 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.8 mm -92.28 125.41 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.7 m -74.08 128.68 85.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.26 143.73 51.55 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.424 2.083 . . . . 0.0 112.34 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 t -113.17 -22.48 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.335 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.2 m -145.45 153.05 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.08 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 87.1 p -76.01 148.7 37.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.44 -43.54 88.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -39.85 69.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.86 74.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.57 -47.12 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.105 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.5 t -61.25 -34.19 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.02 -13.54 47.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.529 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.44 36.23 75.97 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.447 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 m -104.8 36.05 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.953 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -161.84 63.72 1.63 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.95 -42.23 65.63 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.586 2.191 . . . . 0.0 112.231 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.16 -42.11 85.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.12 -36.91 93.85 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.275 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.48 -42.66 99.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.798 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.1 mm -64.13 -42.02 94.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.41 86.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.402 ' CE1' ' CE1' ' A' ' 102' ' ' PHE . 8.8 t80 -63.87 -48.15 77.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -39.04 78.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.0 m -60.89 -40.29 92.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -68.22 -45.44 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.402 ' CE1' ' CE1' ' A' ' 98' ' ' TYR . 2.3 m-85 -66.86 -38.14 85.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -60.02 -41.52 92.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 m -58.54 -43.87 89.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.61 -40.43 63.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.437 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 3.4 m-85 -65.76 -31.29 72.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -37.38 83.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.822 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m -98.93 31.68 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.16 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.843 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 2.1 mtm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.783 0.325 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 164.63 62.23 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.546 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -174.85 4.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.896 0.379 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -142.92 114.51 8.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 53.0 p-80 -66.32 138.9 57.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -112.97 47.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -89.8 -50.01 6.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.43 34.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.53 113.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 115.9 12.85 8.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.78 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 m -124.51 -43.7 2.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.877 0.37 . . . . 0.0 110.706 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.91 -28.97 22.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.027 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.7 -27.26 61.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.421 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.57 -31.87 72.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.53 -33.13 74.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -47.06 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.324 -179.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -72.59 -31.61 65.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.8 tp -70.22 -46.85 63.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -36.21 82.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -41.29 91.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.423 ' CZ2' ' HG3' ' A' ' 16' ' ' GLN . 74.1 t90 -67.65 -36.92 81.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 m -68.93 -45.54 70.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.29 -39.43 94.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.024 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -66.33 -45.57 79.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.994 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 12.3 mm-40 -69.37 -31.51 69.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.139 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.9 m -89.03 7.53 34.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.345 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.91 125.4 32.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.359 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.79 -34.26 0.88 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.64 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.411 ' CE1' ' HB3' ' A' ' 40' ' ' ALA . 39.5 m-85 -78.16 138.7 60.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.691 0.282 . . . . 0.0 110.826 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.41 92.53 1.07 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.662 2.241 . . . . 0.0 112.492 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.33 -3.33 8.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.779 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.2 p -78.41 120.69 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 0.0 111.01 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.27 93.52 4.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.668 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.41 85.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.367 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.4 t -149.79 20.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -138.21 142.77 39.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.96 39.09 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.989 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 t -169.23 -78.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.348 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.9 t -56.8 -40.61 76.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.496 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.42 -27.0 33.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.401 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.435 ' CE3' ' HB2' ' A' ' 37' ' ' ALA . 12.6 m95 -102.28 14.58 31.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.566 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.85 -47.68 82.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.353 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 56.0 p-10 -86.14 5.55 33.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.389 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.52 21.68 35.73 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.847 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.401 ' CD2' ' HG3' ' A' ' 56' ' ' GLN . 20.8 tp -70.67 -30.44 67.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.804 0.335 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.435 ' HB2' ' CE3' ' A' ' 32' ' ' TRP . . . -61.91 -47.18 86.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.95 -46.18 75.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.69 -39.21 93.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.507 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.411 ' HB3' ' CE1' ' A' ' 20' ' ' TYR . . . -59.39 -40.7 87.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.77 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.37 -51.6 66.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.738 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.75 -46.65 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.444 ' CD2' ' HD2' ' A' ' 52' ' ' PRO . 47.5 t80 -59.15 -37.74 78.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -38.2 89.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.79 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.448 ' CD2' ' CE2' ' A' ' 106' ' ' PHE . 3.9 mm? -86.46 -29.64 22.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.704 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -146.11 74.46 13.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.532 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.439 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 56.0 Cg_endo -70.64 -30.76 17.72 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.509 2.139 . . . . 0.0 112.252 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.77 -21.42 73.07 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.7 mt -116.17 39.21 3.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.647 0.26 . . . . 0.0 111.324 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.34 170.7 19.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.001 0.429 . . . . 0.0 111.235 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -158.91 62.4 2.14 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.519 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.444 ' HD2' ' CD2' ' A' ' 43' ' ' TYR . 17.6 Cg_endo -57.14 -18.89 31.22 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.887 2.391 . . . . 0.0 112.676 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.4 p -62.16 -45.75 92.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.846 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -50.05 32.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.203 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.78 -17.07 60.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.674 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.401 ' HG3' ' CD2' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -60.88 -39.83 90.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 111.268 -179.529 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -118.46 -10.31 8.76 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.841 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -31.13 71.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.769 0.319 . . . . 0.0 110.701 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.36 153.94 7.82 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.651 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.05 -64.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.319 . . . . 0.0 111.042 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 tt -62.28 -37.59 86.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.14 -44.9 96.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.037 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.79 95.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.2 m -67.31 -50.73 58.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.54 98.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 32.8 t90 -66.8 -42.2 86.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.999 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.53 -37.68 74.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.254 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -46.06 77.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.04 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -48.49 74.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.915 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.2 m -68.5 -38.63 79.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.015 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.29 -44.24 75.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.033 0.444 . . . . 0.0 110.404 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.485 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 0.2 OUTLIER -69.66 -37.31 76.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.465 179.265 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.36 -41.19 70.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.519 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -80.8 -42.46 21.66 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.97 -45.31 5.22 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.485 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 110.17 19.72 7.89 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.691 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.7 mt -86.63 117.93 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.769 0.319 . . . . 0.0 111.108 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.4 t -74.15 133.47 78.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.36 134.17 62.33 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.44 2.093 . . . . 0.0 112.474 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.0 t -114.75 -23.72 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.273 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.2 m -130.58 160.47 41.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 84.6 p -90.45 150.44 21.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.948 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.68 98.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -37.77 67.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.85 79.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.43 -50.98 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.191 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.55 -27.84 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.295 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.92 -13.47 53.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.485 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.88 27.59 59.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.61 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -112.94 31.87 6.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.705 0.288 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -155.95 57.13 1.44 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -61.97 -39.79 48.09 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.591 2.194 . . . . 0.0 112.238 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.19 -44.57 88.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.022 0.439 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.23 -36.27 89.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.273 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.424 HD12 ' CE3' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -61.88 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 110.803 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 60.9 mt -64.12 -41.22 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.72 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.67 -33.97 72.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.738 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -45.55 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.785 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.412 HD23 ' CH2' ' A' ' 32' ' ' TRP . 59.8 mt -59.06 -32.74 70.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.74 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 m -59.95 -36.74 77.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.717 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -74.31 -41.74 60.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -63.42 -37.43 87.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.781 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -64.06 -45.17 89.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 m -58.69 -38.39 78.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.44 -41.67 27.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.448 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 3.3 m-85 -65.87 -31.05 71.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.5 -32.1 48.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 t -98.36 36.93 1.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.81 0.338 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -112.44 29.81 8.01 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -113.79 87.77 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -68.79 128.69 37.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -106.34 113.95 27.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -161.61 141.33 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.84 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 1.3 t60 67.67 29.22 7.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.8 mmm 57.09 170.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.005 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -176.81 -70.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.333 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -38.12 75.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.78 0.324 . . . . 0.0 110.804 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.06 -31.34 64.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.84 -51.19 60.58 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -68.01 -35.71 78.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.966 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -32.73 74.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -62.6 -46.74 86.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.464 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 6.6 pt-20 -66.22 -33.95 76.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.845 0.355 . . . . 0.0 111.082 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 73.8 mt -73.84 -46.82 42.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.777 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -45.98 88.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.034 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -59.71 -42.4 92.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.009 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.497 ' CZ2' ' CD2' ' A' ' 103' ' ' HIS . 73.9 t90 -63.76 -44.14 94.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.781 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.8 t -64.53 -45.39 87.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -61.18 -41.08 96.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -66.28 -45.59 79.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.764 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.68 -28.88 62.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.8 m -91.33 7.42 41.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.453 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.13 143.87 33.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.2 -36.15 2.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -70.08 128.47 91.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.568 0.223 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.42 68.42 1.5 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.651 2.234 . . . . 0.0 112.525 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.7 38.41 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.287 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.1 p -117.76 120.67 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.037 0.446 . . . . 0.0 111.214 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -121.51 68.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.651 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.2 t -71.95 93.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.367 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.8 m -148.51 20.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.35 142.53 39.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.83 39.18 1.29 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -168.76 -77.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.29 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.3 m -56.14 -39.08 71.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.349 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.35 -24.16 27.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.42 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.432 ' N ' ' CD1' ' A' ' 32' ' ' TRP . 6.8 m95 -102.29 14.77 31.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.352 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.28 -54.24 49.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.415 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -87.95 10.06 20.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.544 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.96 30.89 77.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.697 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.03 -34.22 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . . . -68.75 -46.95 67.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.259 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.96 -45.95 69.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.181 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 93.7 m -66.36 -43.08 87.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.086 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.97 82.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.164 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.0 mt -64.19 -50.53 67.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.2 t -58.57 -39.19 74.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.358 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -69.23 -40.49 77.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.046 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -62.94 -30.66 71.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.032 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.43 HD22 ' CG ' ' A' ' 106' ' ' PHE . 1.6 mt -93.1 -50.48 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -120.99 67.54 15.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.505 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.24 -27.52 34.77 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.587 2.192 . . . . 0.0 112.116 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.45 -15.45 72.91 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.63 34.41 4.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.693 0.282 . . . . 0.0 111.183 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.85 158.62 44.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.968 0.413 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -148.33 71.09 10.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.29 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 56' ' ' GLN . 14.2 Cg_endo -56.37 -46.73 28.27 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.924 2.416 . . . . 0.0 112.655 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 p -54.0 -31.86 52.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.249 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.418 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 53.0 tt0 -71.41 -50.31 33.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.508 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.38 -9.62 58.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.938 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' PRO . 2.4 tt0 -60.6 -37.56 81.77 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.46 -26.27 3.2 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.29 -0.957 . . . . 0.0 112.924 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.418 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 1.8 mp -50.37 -34.62 24.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 111.263 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.31 150.69 6.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.715 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.24 -58.89 3.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.994 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.85 -37.6 76.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.6 -40.46 84.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.82 -42.77 97.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.091 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -46.8 78.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.19 -43.35 87.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.396 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -65.27 -49.96 67.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.992 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.7 -39.44 93.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.239 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.9 tp -65.38 -44.86 86.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -48.27 73.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.13 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.49 -43.19 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.48 -46.09 76.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 0.0 110.584 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 10.7 pt-20 -69.82 -37.1 76.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.596 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.41 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 3.8 m-20 -69.68 -41.34 75.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.478 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.78 -42.37 21.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.43 HD23 ' CZ ' ' A' ' 106' ' ' PHE . 0.2 OUTLIER -90.75 -33.99 15.52 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.22 26.97 16.94 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.43 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.2 mt -99.13 125.03 52.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.792 0.329 . . . . 0.0 111.185 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -74.14 133.63 78.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.07 145.39 64.38 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.587 2.191 . . . . 0.0 112.436 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.4 t -117.76 -27.72 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.334 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.23 159.15 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.87 156.34 20.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.56 98.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -55.46 -37.71 68.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.42 -43.85 76.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.75 -51.07 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.249 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 50.8 t -63.04 -36.38 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.09 -13.44 53.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.418 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.94 28.1 71.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.523 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -98.62 30.98 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -161.41 69.48 2.46 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.05 -40.58 41.75 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.662 2.241 . . . . 0.0 112.248 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.33 -36.39 73.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.18 -38.77 54.13 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -43.25 95.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.1 mm -67.76 -46.78 81.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.02 92.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -69.05 -48.23 63.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.07 -42.01 84.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.2 t -61.77 -36.9 82.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.51 -42.17 78.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.56 -46.73 81.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.003 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.497 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 18.7 t-160 -66.43 -51.26 58.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 93.0 p -63.33 -42.4 98.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.406 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.45 85.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.42 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.43 ' CZ ' HD23 ' A' ' 75' ' ' LEU . 24.9 m-85 -83.75 1.92 40.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.39 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.45 -30.39 23.56 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.87 0.367 . . . . 0.0 110.745 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 m -97.52 38.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 4.5 ptt? . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.8 0.333 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -139.96 114.34 0.97 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.543 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -145.18 -58.43 0.34 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.826 0.346 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -111.15 46.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 46.3 m80 60.96 158.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -137.96 121.06 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -109.16 -31.0 7.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.3 -75.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.5 mmt -106.36 -177.39 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 157.4 -61.27 0.33 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -64.76 1.01 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.84 0.352 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.95 -29.88 67.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.169 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.77 -41.86 99.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.55 -33.58 64.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -63.39 -32.89 74.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.57 -46.86 86.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.335 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -67.28 -31.7 72.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.064 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.73 -48.66 63.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -63.7 -38.49 91.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.779 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -59.81 -42.52 93.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.014 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.496 ' CE2' ' CD2' ' A' ' 103' ' ' HIS . 45.7 t90 -67.71 -37.89 82.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -45.65 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.2 -35.03 79.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.033 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -64.23 -45.82 86.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.419 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 17.5 mm-40 -70.73 -29.85 66.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.83 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 p -89.98 7.51 37.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.358 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.23 135.34 35.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.801 0.334 . . . . 0.0 111.099 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.52 -28.86 2.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.52 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -76.8 138.32 66.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.56 0.219 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.18 93.5 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.575 2.183 . . . . 0.0 112.507 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.93 -1.95 8.49 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.626 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.0 p -78.47 120.63 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.955 0.407 . . . . 0.0 111.075 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -129.53 61.52 1.55 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.0 t -72.38 102.47 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.361 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -149.66 21.94 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -138.18 144.43 40.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.753 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.88 35.31 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.032 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.3 m -166.25 -71.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.379 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -56.86 -43.83 81.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.314 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.24 -29.95 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.279 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.42 ' CE3' ' HB1' ' A' ' 37' ' ' ALA . 33.9 m95 -89.17 -0.38 57.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.485 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.01 -58.9 5.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.708 0.29 . . . . 0.0 111.453 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 p30 -79.48 -6.92 57.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.3 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.63 34.96 59.42 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.548 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -74.95 -29.35 60.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.689 0.281 . . . . 0.0 111.08 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB1' ' CE3' ' A' ' 32' ' ' TRP . . . -66.41 -47.35 73.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 111.297 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.51 -34.83 67.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.438 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 10.5 m -69.18 -49.19 58.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.84 -41.44 86.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.311 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.4 -52.56 64.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.011 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.2 t -61.89 -49.63 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.206 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.414 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 50.0 t80 -54.82 -37.95 66.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.056 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -64.16 -43.14 96.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.978 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.453 ' CD1' ' CE2' ' A' ' 106' ' ' PHE . 11.1 mp -76.28 -30.87 57.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.015 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -150.76 76.75 8.04 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.775 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 61.4 Cg_endo -73.28 -27.43 13.52 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.573 2.182 . . . . 0.0 112.32 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.72 -28.0 71.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.531 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.1 mt -105.99 25.59 10.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.672 0.272 . . . . 0.0 111.243 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.409 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 0.7 OUTLIER -144.75 164.11 32.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 111.196 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 27.1 mt-10 -157.26 50.84 0.45 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.695 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 20.3 Cg_endo -60.29 -17.36 46.29 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.73 2.287 . . . . 0.0 112.674 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.2 m -55.51 -41.28 72.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.053 0.454 . . . . 0.0 110.546 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.68 -49.97 34.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.131 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.95 -9.85 59.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.035 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' PRO . 1.0 OUTLIER -60.41 -34.29 73.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.32 . . . . 0.0 111.097 -179.328 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.09 -20.27 3.09 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.784 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.7 -33.6 70.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.882 0.372 . . . . 0.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.72 141.12 3.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.85 -57.28 6.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 tp -60.56 -37.5 81.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -43.0 99.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.93 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.31 -43.31 81.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.245 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 m -67.34 -50.74 58.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.065 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.63 98.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.223 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.414 ' CZ3' HG21 ' A' ' 70' ' ' VAL . 50.3 t90 -66.91 -42.05 86.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.08 -37.38 83.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.158 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.6 mt -64.57 -46.04 84.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -48.21 72.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.154 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.414 HG21 ' CZ3' ' A' ' 66' ' ' TRP . 27.6 m -68.48 -38.55 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.987 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.41 -44.03 75.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.464 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.427 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 3.1 tt0 -70.05 -37.54 75.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.395 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -68.58 -41.5 79.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.22 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -80.94 -42.37 21.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.533 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.79 -63.69 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.642 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 117.24 35.22 1.13 Allowed Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.481 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.422 HG22 ' CE1' ' A' ' 102' ' ' PHE . 23.1 mm -84.13 130.41 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -74.14 115.18 40.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -57.39 135.38 69.64 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.468 2.112 . . . . 0.0 112.336 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.2 t -126.73 1.16 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.714 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.1 m -149.74 160.44 4.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.803 0.335 . . . . 0.0 111.063 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.25 159.41 14.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.61 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -57.99 -36.17 72.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.46 -45.14 73.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.8 -48.35 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.68 -30.35 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.202 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.61 52.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.514 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.5 30.3 55.43 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.584 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 m -107.65 35.83 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 0.0 110.966 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.405 ' N ' ' HD3' ' A' ' 92' ' ' PRO . 1.2 t70 -157.14 62.42 2.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.067 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 91' ' ' ASP . 40.0 Cg_exo -56.93 -42.85 59.97 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.436 2.091 . . . . 0.0 112.178 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.36 -41.99 85.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.42 -38.24 96.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.325 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.15 -42.88 99.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.5 mm -63.8 -45.52 96.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.76 -43.4 85.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -47.09 65.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.43 -32.88 72.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.7 -37.58 82.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -72.9 -42.6 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.422 ' CE1' HG22 ' A' ' 77' ' ' ILE . 9.3 m-85 -67.76 -40.05 84.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.496 ' CD2' ' CE2' ' A' ' 12' ' ' TRP . 19.5 t-160 -64.63 -51.35 63.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.7 t -57.18 -38.62 73.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.83 -43.99 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.453 ' CE2' ' CD1' ' A' ' 45' ' ' LEU . 3.0 m-85 -66.08 -31.6 72.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.825 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -72.45 -56.88 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.2 m -63.53 -51.53 65.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 ttp . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.854 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 9.8 ttt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.819 0.342 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -176.05 -83.99 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 17.2 m170 60.69 108.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.979 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.72 29.56 3.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -150.0 136.95 19.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -75.27 121.8 22.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.87 146.75 29.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -129.87 169.75 14.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 60.67 78.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -145.55 27.88 1.79 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 p -129.61 -46.07 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.722 0.296 . . . . 0.0 110.798 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.82 -34.48 66.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.4 -28.51 65.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.548 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -65.26 -27.11 68.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.796 0.332 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -59.06 -32.75 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.71 -46.95 85.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 1.9 pt-20 -64.98 -31.6 72.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.117 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.445 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -71.81 -39.74 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.955 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -43.05 98.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.042 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -66.0 -37.85 86.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.022 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.494 ' CE2' ' CD2' ' A' ' 103' ' ' HIS . 86.8 t90 -62.94 -39.81 95.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.025 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.1 t -66.61 -45.46 79.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.938 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -64.54 -38.25 90.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -45.54 79.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.767 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -34.62 76.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.7 m -88.26 7.47 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.399 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.85 148.48 31.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.16 -30.6 6.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.593 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -85.81 121.61 73.11 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.535 0.207 . . . . 0.0 110.784 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.68 120.74 6.29 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.438 2.092 . . . . 0.0 112.459 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.96 -28.07 14.22 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.257 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.45 120.47 29.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -105.16 139.73 39.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.738 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 t -127.03 89.01 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.276 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.59 21.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.008 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -138.19 136.46 36.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.784 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.64 37.9 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.987 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -166.61 -70.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.029 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -57.8 -42.09 83.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.214 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -24.41 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.258 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -98.79 1.86 46.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.605 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.73 -59.64 4.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.685 0.279 . . . . 0.0 111.274 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.2 p30 -79.56 -2.96 44.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.243 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.04 26.83 63.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.631 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -67.66 -41.43 83.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.293 . . . . 0.0 110.96 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.0 -47.23 86.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.239 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.09 -45.99 75.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.412 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -61.54 -45.78 92.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.957 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.39 78.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.268 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.69 -52.42 64.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.58 -49.34 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CD1' ' CD ' ' A' ' 52' ' ' PRO . 63.6 t80 -56.52 -37.87 71.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.81 -42.34 99.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.428 HD13 ' CD2' ' A' ' 106' ' ' PHE . 11.1 mp -80.69 -37.29 31.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -139.51 72.78 36.71 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.769 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.447 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 59.2 Cg_endo -71.9 -25.73 19.57 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.59 2.193 . . . . 0.0 112.379 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.63 -37.34 77.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.701 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.16 30.03 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.713 0.292 . . . . 0.0 111.238 -179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -140.02 166.73 23.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.166 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -155.35 61.55 2.98 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.419 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.452 ' CD ' ' CD1' ' A' ' 43' ' ' TYR . 19.4 Cg_endo -58.78 -35.97 97.79 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.958 2.439 . . . . 0.0 112.806 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 t -54.33 -36.53 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.124 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.424 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 2.8 tt0 -71.75 -50.4 30.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.544 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.03 -9.64 59.6 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -35.56 76.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -123.71 -8.59 6.2 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.324 -0.941 . . . . 0.0 113.346 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.424 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -72.2 -28.62 63.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.926 0.363 . . . . 0.0 111.175 -179.841 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.06 149.39 6.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.804 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.18 -57.15 4.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.826 0.346 . . . . 0.0 111.007 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.66 -37.59 79.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.802 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -63.8 -46.8 83.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.97 -42.2 97.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.53 -50.32 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.55 97.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -48.9 67.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.92 -38.92 92.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.2 tp -65.35 -46.02 81.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.032 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.16 -48.38 73.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.01 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.58 -38.55 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.075 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.65 -46.27 77.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.665 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.456 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 10.7 pt-20 -70.11 -37.44 75.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.572 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -69.16 -41.63 76.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.282 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -81.11 -42.47 20.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.83 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.6 tt -96.43 -56.2 2.68 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 109.9 29.79 3.69 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.463 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.415 HD11 ' CD2' ' A' ' 101' ' ' HIS . 1.6 tt -95.81 128.71 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.322 . . . . 0.0 111.258 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 75.1 m -74.08 126.13 89.51 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.17 137.22 70.11 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.447 2.098 . . . . 0.0 112.276 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.5 t -113.48 -19.51 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.35 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.47 156.57 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.814 0.34 . . . . 0.0 111.029 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 65.9 m -86.92 160.87 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.83 94.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -60.84 -34.78 75.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.49 -46.58 69.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.398 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.4 m -70.29 -45.16 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.422 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.86 -33.0 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.026 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.54 52.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.474 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 56.14 27.35 51.76 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.662 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.17 36.65 2.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.74 63.64 5.96 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.51 -42.75 63.26 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.568 2.179 . . . . 0.0 112.303 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -40.89 96.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.96 -40.34 88.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.95 -42.71 94.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.8 mt -67.66 -41.19 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.92 98.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -68.67 -43.34 76.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.1 mt -59.32 -32.98 70.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.8 m -66.23 -37.04 84.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.415 ' CD2' HD11 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -69.88 -45.41 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.403 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 4.0 m-85 -68.14 -36.61 79.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.494 ' CD2' ' CE2' ' A' ' 12' ' ' TRP . 8.7 t-160 -62.85 -51.23 67.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.1 p -64.39 -43.78 93.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.946 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.99 -44.27 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.197 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.428 ' CD2' HD13 ' A' ' 45' ' ' LEU . 3.2 m-85 -65.88 -30.27 70.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.416 ' HD3' ' CD2' ' A' ' 103' ' ' HIS . 1.3 ttpt -73.13 -28.75 62.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -97.11 37.87 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.799 0.333 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.7 -46.87 86.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.39 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -70.31 -31.67 69.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.704 0.288 . . . . 0.0 111.051 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.437 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 20.8 mt -74.31 -48.56 27.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.79 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mt -63.45 -36.08 82.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -65.95 -44.38 85.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -67.73 -36.62 80.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.0 t -65.28 -45.43 84.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -63.33 -36.92 85.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.96 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.28 -45.64 79.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.802 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.78 -34.48 77.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.797 HG23 ' CB ' ' A' ' 40' ' ' ALA . 14.6 m -87.93 7.34 31.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.536 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.46 125.24 30.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.828 0.347 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.15 -31.52 1.95 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -76.84 121.43 84.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.577 0.227 . . . . 0.0 110.754 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.11 56.36 3.09 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.55 2.166 . . . . 0.0 112.707 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.99 36.29 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.654 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.433 HG13 HD12 ' A' ' 36' ' ' LEU . 22.3 t -138.08 120.84 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.09 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.86 125.82 53.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.73 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.638 HG21 ' CB ' ' A' ' 17' ' ' THR . 21.3 t -121.75 91.07 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.287 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.7 m -148.62 21.4 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.14 140.5 39.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.744 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.436 HD21 ' CG2' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -96.36 37.81 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.914 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.6 m -164.49 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.159 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -39.04 74.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.375 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.3 m -54.87 -26.5 35.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.32 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.605 ' HZ2' HD11 ' A' ' 99' ' ' LEU . 10.5 m95 -102.42 5.19 39.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.527 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.754 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -54.85 -60.97 2.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.761 0.315 . . . . 0.0 111.23 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.816 ' CG ' HD23 ' A' ' 36' ' ' LEU . 14.8 p30 -83.58 3.35 32.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.461 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.06 30.32 61.31 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.619 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.816 HD23 ' CG ' ' A' ' 34' ' ' ASP . 1.7 mm? -74.56 -46.03 41.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.68 0.276 . . . . 0.0 111.071 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.37 -47.18 87.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.833 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -66.83 -45.38 78.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.994 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.5 m -63.93 -42.62 97.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.797 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -57.81 -41.23 81.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.575 HD23 ' HE2' ' A' ' 106' ' ' PHE . 0.3 OUTLIER -68.22 -50.84 51.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 38' ' ' LEU . 12.1 t -57.94 -46.8 87.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.446 ' CG ' ' HG3' ' A' ' 52' ' ' PRO . 49.2 t80 -58.4 -37.99 76.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.952 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -37.73 88.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HG ' ' CE1' ' A' ' 106' ' ' PHE . 4.4 mm? -77.12 -42.03 39.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.46 76.97 74.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.442 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 36.0 Cg_endo -65.18 -27.18 56.73 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.539 2.159 . . . . 0.0 112.19 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.77 3.28 77.78 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.718 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.884 ' O ' HD22 ' A' ' 50' ' ' LEU . 4.3 mt -136.47 28.89 3.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.765 0.317 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.884 HD22 ' O ' ' A' ' 49' ' ' LEU . 1.8 mm? -143.28 163.72 32.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.0 0.429 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -147.81 65.1 8.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.54 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.446 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 12.1 Cg_endo -55.52 -52.37 7.8 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.757 2.305 . . . . 0.0 112.496 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.89 -29.62 42.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.839 ' O ' HD13 ' A' ' 58' ' ' LEU . 70.5 tt0 -71.51 -50.1 34.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.346 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 55' ' ' LEU . 3.9 mm? -84.3 -9.6 58.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.853 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.813 ' CG ' HD21 ' A' ' 36' ' ' LEU . 1.8 tt0 -60.56 -38.5 84.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.858 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -115.55 -25.92 3.56 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.875 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.839 HD13 ' O ' ' A' ' 54' ' ' GLU . 1.6 mp -49.25 -34.19 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.728 0.299 . . . . 0.0 111.343 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.28 155.53 7.9 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.852 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.754 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -78.78 -55.19 5.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.979 0.418 . . . . 0.0 111.043 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.694 HD23 HG21 ' A' ' 87' ' ' VAL . 21.7 mt -58.48 -40.1 81.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.31 -39.11 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.53 95.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.4 m -67.35 -50.6 59.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.56 96.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.305 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.697 ' O ' HG22 ' A' ' 70' ' ' VAL . 33.8 t90 -66.91 -50.04 63.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.95 95.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.7 mt -66.16 -41.36 90.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.63 -48.48 63.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.945 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 66' ' ' TRP . 27.1 m -68.45 -40.44 82.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.051 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.64 75.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.093 0.473 . . . . 0.0 110.244 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 45.9 tt0 -69.8 -37.43 76.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.444 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -71.02 -41.34 70.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.569 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.06 -42.32 21.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.088 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.77 -42.41 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 103.97 19.66 11.55 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.52 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.9 mm -95.78 116.06 36.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.862 0.363 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.9 m -74.31 132.96 78.3 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.9 148.54 37.5 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.572 2.181 . . . . 0.0 112.314 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.459 HG23 ' CD1' ' A' ' 98' ' ' TYR . 19.2 t -113.21 -25.02 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.253 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.482 HG21 ' HA3' ' A' ' 94' ' ' GLY . 21.6 t -133.97 158.34 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.98 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.833 ' O ' HG23 ' A' ' 86' ' ' VAL . 2.4 t -75.84 154.63 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -61.43 -43.51 98.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -55.88 -44.0 77.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.04 84.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 82' ' ' SER . 29.0 t -63.77 -51.12 73.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.694 HG21 HD23 ' A' ' 61' ' ' LEU . 22.0 t -63.17 -33.91 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.04 -13.5 52.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.572 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.63 32.29 83.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.8 p -102.31 36.45 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.67 70.42 4.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -62.04 -42.74 28.2 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.654 2.236 . . . . 0.0 112.056 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.44 -35.83 82.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.807 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.482 ' HA3' HG21 ' A' ' 81' ' ' VAL . . . -76.67 -39.8 28.5 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.654 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.515 HD11 HG13 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -64.53 -43.49 93.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.755 0.312 . . . . 0.0 111.0 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.436 ' CG2' HD21 ' A' ' 28' ' ' LEU . 2.0 pp -67.7 -41.12 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.016 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.14 96.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.459 ' CD1' HG23 ' A' ' 80' ' ' VAL . 1.1 t80 -61.41 -44.64 96.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.605 HD11 ' HZ2' ' A' ' 32' ' ' TRP . 1.3 mt -58.11 -34.33 70.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.662 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.2 m -64.61 -38.3 90.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.676 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.47 -43.67 93.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.405 ' O ' ' CD2' ' A' ' 106' ' ' PHE . 21.0 m-85 -68.21 -37.87 81.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.709 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.426 ' CE1' ' HD3' ' A' ' 107' ' ' LYS . 9.9 t60 -67.6 -45.47 75.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.85 -37.31 73.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.575 ' HE2' HD23 ' A' ' 41' ' ' LEU . 1.4 m-85 -87.19 -33.65 19.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.426 ' HD3' ' CE1' ' A' ' 103' ' ' HIS . 32.9 tptt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.823 0.344 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -65.49 -38.99 91.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.054 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -62.46 -46.47 88.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.005 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -36.48 76.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.614 HD11 HD11 ' A' ' 28' ' ' LEU . 11.5 mt -63.55 -46.18 87.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -66.28 -32.41 73.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.058 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.446 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 52.4 t90 -67.82 -49.47 62.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.898 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -62.8 -45.4 92.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -43.39 98.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.29 -45.78 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 110.698 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -70.76 -28.51 64.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.871 HG23 ' CB ' ' A' ' 40' ' ' ALA . 59.1 m -88.1 7.5 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.44 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.65 140.99 31.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.793 0.33 . . . . 0.0 111.11 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.41 -24.53 3.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.612 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.625 ' O ' HG23 ' A' ' 23' ' ' VAL . 15.0 m-85 -86.1 145.11 39.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.675 0.274 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.21 62.76 1.46 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.555 2.17 . . . . 0.0 112.344 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.02 39.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.291 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 20' ' ' TYR . 40.2 t -88.89 120.8 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.024 0.44 . . . . 0.0 111.027 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -144.08 38.61 1.31 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.599 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.534 HG21 HG21 ' A' ' 17' ' ' THR . 21.3 t -66.24 97.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.301 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.2 m -146.16 20.84 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -138.22 146.94 43.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.528 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.614 HD11 HD11 ' A' ' 10' ' ' LEU . 1.8 mp -99.66 39.38 1.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.03 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -169.58 -80.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.386 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.6 t -57.83 -24.22 56.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.52 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.5 t -68.47 -31.97 71.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.34 . . . . 0.0 111.091 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 13.8 m95 -94.12 14.62 19.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.43 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.43 -56.52 19.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.788 0.328 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.619 ' CG ' HD23 ' A' ' 36' ' ' LEU . 11.8 p30 -86.49 0.7 53.69 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.363 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.34 36.79 79.13 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.736 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.709 HD21 ' HG3' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -74.96 -36.69 62.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 111.197 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.468 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -68.66 -47.1 67.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.509 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 42' ' ' VAL . 16.9 tp -64.03 -46.19 85.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.212 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 74.9 m -70.35 -39.02 74.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.904 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.871 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -56.57 -39.73 73.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 110.998 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.16 -52.38 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 38' ' ' LEU . 18.9 t -59.2 -36.36 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -66.19 -37.95 86.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.853 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.68 -42.58 99.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.554 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.45 -35.56 34.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.417 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.666 ' HB2' HD12 ' A' ' 49' ' ' LEU . 3.7 mt-30 -141.93 92.05 7.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.419 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.62 -50.88 2.15 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.571 2.181 . . . . 0.0 112.365 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.21 -17.64 56.33 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.83 ' HB3' HD12 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -53.61 -66.45 0.39 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.627 0.251 . . . . 0.0 111.435 -179.81 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.861 HD23 ' CE3' ' A' ' 66' ' ' TRP . 0.7 OUTLIER -135.23 157.64 46.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.969 0.414 . . . . 0.0 111.378 -179.566 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -108.01 81.24 1.19 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.527 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HB3' ' HB3' ' A' ' 39' ' ' CYS . 9.8 Cg_endo -51.69 -30.77 38.39 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.778 2.319 . . . . 0.0 112.589 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -48.65 71.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.913 0.387 . . . . 0.0 111.159 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.5 ' O ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -71.37 -50.14 35.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.711 -179.729 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.694 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 50.8 mt -70.99 -10.2 59.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.88 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.709 ' HG3' HD21 ' A' ' 36' ' ' LEU . 15.2 tt0 -60.85 -39.93 90.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.7 0.286 . . . . 0.0 111.324 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.34 -18.22 5.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.745 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -54.96 -32.01 61.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.841 0.353 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.11 132.23 1.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.478 -0.867 . . . . 0.0 112.552 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.1 -65.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.329 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.89 -37.46 84.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -45.29 92.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.15 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.78 -43.75 95.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.178 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -50.64 60.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.354 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.78 94.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.441 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.861 ' CE3' HD23 ' A' ' 50' ' ' LEU . 1.6 t90 -67.03 -37.91 84.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.543 ' HA ' HD22 ' A' ' 50' ' ' LEU . . . -70.53 -42.37 71.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.556 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.77 -42.91 76.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.682 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -69.06 -48.53 62.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.563 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.807 ' HB ' HD21 ' A' ' 50' ' ' LEU . 40.7 t -68.57 -44.55 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.207 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.22 -39.5 69.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.159 0.504 . . . . 0.0 109.922 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -37.02 75.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.251 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.99 -42.14 58.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.701 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.693 ' HB2' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -81.54 -42.59 19.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.659 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.08 -30.25 21.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.55 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.07 26.84 32.89 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 101' ' ' HIS . 15.9 tt -107.37 126.28 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -74.24 135.31 76.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.031 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.65 158.87 18.53 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.528 2.152 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.482 HG21 ' HA ' ' A' ' 98' ' ' TYR . 21.5 t -118.54 -26.15 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.453 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.492 HG22 ' N ' ' A' ' 82' ' ' SER . 10.7 p -144.36 158.79 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.492 ' N ' HG22 ' A' ' 81' ' ' VAL . 45.4 m -77.91 146.34 35.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.006 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.32 -43.7 92.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -54.8 -38.32 67.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.047 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.507 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.36 -41.07 81.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 82' ' ' SER . 21.5 t -66.87 -48.9 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.282 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 p -61.32 -34.71 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.277 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.08 -13.45 53.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.543 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.43 27.04 60.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.546 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.9 m -103.83 30.9 4.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.959 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.507 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 1.9 m-20 -159.83 70.76 3.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.01 -41.44 36.46 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.618 2.212 . . . . 0.0 112.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.25 -36.22 72.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.44 -39.85 49.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.615 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.445 HD21 ' CE2' ' A' ' 32' ' ' TRP . 0.7 OUTLIER -61.16 -43.08 99.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.659 0.266 . . . . 0.0 110.95 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.8 mm -67.24 -41.21 86.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.93 -39.09 80.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.482 ' HA ' HG21 ' A' ' 80' ' ' VAL . 5.8 t80 -69.39 -42.3 75.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.491 HD11 ' SG ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER -62.91 -34.49 77.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.9 m -59.67 -41.06 89.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.677 ' HB3' HD11 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -70.0 -44.81 68.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.475 ' CD2' ' CE1' ' A' ' 106' ' ' PHE . 0.2 OUTLIER -68.31 -41.58 80.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -65.48 -43.59 89.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 m -65.58 -38.48 89.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.97 -37.27 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.475 ' CE1' ' CD2' ' A' ' 102' ' ' PHE . 3.2 m-85 -65.81 -32.56 74.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.4 mttt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.95 179.918 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.792 0.33 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -46.82 86.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 4.1 pt-20 -66.28 -31.7 72.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.009 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 9' ' ' LEU . 2.5 mm? -64.74 -48.72 73.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.831 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.859 HD13 HD12 ' A' ' 28' ' ' LEU . 6.5 tp -63.49 -35.46 80.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.82 -44.19 94.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.497 ' CZ2' ' CD2' ' A' ' 103' ' ' HIS . 58.3 t90 -67.67 -47.36 69.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.73 -45.46 94.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.045 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.626 ' HA ' HG22 ' A' ' 17' ' ' THR . 18.1 tm0? -62.75 -34.91 78.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -66.4 -45.52 79.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.779 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.428 ' HG3' ' CZ3' ' A' ' 12' ' ' TRP . 13.4 mm-40 -67.7 -35.13 78.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.22 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.772 HG21 ' CG2' ' A' ' 25' ' ' VAL . 11.9 t -87.32 7.45 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.44 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.78 136.68 36.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.881 0.372 . . . . 0.0 111.071 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.32 -35.6 2.47 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.419 ' CE1' ' HB1' ' A' ' 40' ' ' ALA . 67.9 m-85 -70.09 136.46 87.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.544 0.211 . . . . 0.0 110.791 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.68 107.21 2.41 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.505 2.137 . . . . 0.0 112.447 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.07 -24.79 15.46 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.343 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.46 120.6 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.915 0.388 . . . . 0.0 111.196 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -134.56 71.89 1.45 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.665 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.772 ' CG2' HG21 ' A' ' 17' ' ' THR . 44.6 t -68.89 106.73 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.389 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.611 ' C ' HD21 ' A' ' 10' ' ' LEU . 62.3 m -151.73 21.03 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.945 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -138.35 148.58 44.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.742 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.859 HD12 HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -94.35 35.95 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.052 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -163.78 -69.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.8 0.333 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -46.08 91.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.465 ' HB3' HG13 ' A' ' 25' ' ' VAL . 21.6 m -52.67 -26.19 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.538 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.4 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 21.2 m95 -102.89 -2.01 28.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.676 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.541 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -51.96 -47.82 64.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.673 0.273 . . . . 0.0 111.475 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.66 ' CG ' HD23 ' A' ' 36' ' ' LEU . 9.9 p30 -95.33 -6.96 39.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.332 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.72 36.25 26.32 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.565 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.66 HD23 ' CG ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -75.0 -39.96 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.733 0.301 . . . . 0.0 111.117 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.426 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -62.14 -47.32 85.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.318 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -69.72 -42.36 74.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.838 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.8 m -64.15 -48.69 75.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.419 ' HB1' ' CE1' ' A' ' 20' ' ' TYR . . . -56.86 -42.67 80.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.318 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 38' ' ' LEU . 9.6 mt -59.64 -51.74 68.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.027 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 38' ' ' LEU . 24.6 t -61.66 -49.62 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.229 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.416 ' HB2' ' HG3' ' A' ' 52' ' ' PRO . 42.5 t80 -57.95 -37.96 75.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.058 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -63.09 -40.07 96.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.178 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.455 ' CD2' ' CZ ' ' A' ' 106' ' ' PHE . 3.8 mm? -83.18 -36.52 24.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.168 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.443 ' CD ' HD12 ' A' ' 49' ' ' LEU . 1.2 mm-40 -138.87 70.74 42.85 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.65 -26.32 16.45 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.544 2.163 . . . . 0.0 112.136 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.24 -7.8 88.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.808 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.443 HD12 ' CD ' ' A' ' 46' ' ' GLN . 61.1 mt -124.6 23.33 8.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.708 0.289 . . . . 0.0 111.228 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.525 HD23 ' HD3' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -147.74 162.73 38.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.915 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.503 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 19.6 mt-10 -148.21 46.75 0.47 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.525 ' HD3' HD23 ' A' ' 50' ' ' LEU . 18.7 Cg_endo -60.01 -17.52 45.23 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.485 2.124 . . . . 0.0 112.669 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -41.64 67.36 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.945 0.402 . . . . 0.0 110.571 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.81 -49.31 39.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.687 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 1.3 mt -69.35 -10.17 56.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.963 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.497 ' CD ' HD11 ' A' ' 36' ' ' LEU . 15.5 mt-30 -60.57 -34.8 74.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.733 0.301 . . . . 0.0 110.944 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.94 -4.0 6.78 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.903 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.21 -29.6 57.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.29 141.5 3.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.541 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -71.0 -55.57 8.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 111.044 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.9 mt -58.73 -41.5 86.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.5 -46.82 84.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -64.55 -43.19 94.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.443 HG21 ' HA ' ' A' ' 83' ' ' ALA . 5.1 m -67.28 -50.66 59.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.56 -43.68 89.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.229 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.602 ' O ' HG23 ' A' ' 70' ' ' VAL . 54.8 t90 -67.0 -48.53 68.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.03 94.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.264 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.426 HD12 HG22 ' A' ' 64' ' ' THR . 15.8 mt -64.31 -46.21 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -48.27 80.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.042 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 66' ' ' TRP . 36.9 t -68.51 -40.1 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.001 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.26 77.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.612 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.464 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 11.1 pt-20 -70.1 -37.12 75.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.433 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.405 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -69.32 -41.02 77.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.535 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -80.78 -42.42 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.799 HD23 HD11 ' A' ' 77' ' ' ILE . 3.5 mp -96.18 -37.43 10.57 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 97.34 23.01 15.24 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.421 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.799 HD11 HD23 ' A' ' 75' ' ' LEU . 18.2 mt -91.49 123.99 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.779 0.323 . . . . 0.0 111.229 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 78' ' ' THR . 8.9 t -74.14 119.97 79.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.02 148.23 39.89 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.473 2.115 . . . . 0.0 112.376 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.598 ' O ' HG12 ' A' ' 80' ' ' VAL . 24.0 t -128.03 4.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.524 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.4 m -149.72 160.33 5.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.676 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.2 m -101.23 154.64 18.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.793 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.443 ' HA ' HG21 ' A' ' 64' ' ' THR . . . -59.92 -43.7 94.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -55.25 -40.99 71.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.035 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.458 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.56 -37.15 79.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.1 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 82' ' ' SER . 19.4 t -66.12 -51.0 64.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 83' ' ' ALA . 21.3 t -64.34 -26.77 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.93 -13.6 53.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.521 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.5 27.19 47.48 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.645 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.88 42.34 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.458 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 2.2 t70 -144.6 62.61 9.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.02 -42.76 28.23 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.585 2.19 . . . . 0.0 112.343 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.4 mp -61.67 -38.36 87.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.15 -38.88 38.63 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.17 -43.26 99.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.3 mt -67.77 -45.88 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.73 92.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -63.41 -47.07 83.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.65 -32.85 73.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.781 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -43.67 96.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.86 -46.48 74.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 0.2 OUTLIER -61.73 -38.98 89.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.706 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.497 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 14.4 t-160 -68.06 -41.53 81.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -43.94 88.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.9 -31.8 66.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.455 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 3.4 m-30 -73.96 -31.16 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.77 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.3 tttt . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.012 -179.836 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.474 ' O ' HD12 ' A' ' 10' ' ' LEU . 27.3 mt-30 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.853 0.359 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.21 -46.91 84.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.267 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -63.46 -31.47 72.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.169 -179.716 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.488 ' CD1' HG23 ' A' ' 96' ' ' ILE . 58.3 mt -67.93 -44.59 76.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.915 0.388 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.612 HD23 ' HA ' ' A' ' 26' ' ' SER . 2.2 mp -63.52 -34.81 78.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -65.31 -44.33 88.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.436 ' CH2' ' HG3' ' A' ' 16' ' ' GLN . 83.1 t90 -67.68 -40.31 84.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.737 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.94 -44.64 84.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -60.87 -41.29 95.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.3 -45.59 79.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.603 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.436 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 23.9 mm100 -67.15 -31.76 72.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 17' ' ' THR . 46.9 m -87.77 7.35 30.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.431 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.88 125.35 29.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.838 0.351 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.03 -28.41 1.13 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 24.2 m-85 -88.93 121.4 69.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.476 0.179 . . . . 0.0 110.727 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 20.5 Cg_exo -65.81 68.38 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.556 2.171 . . . . 0.0 112.62 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.46 -27.54 0.68 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.994 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.428 ' CG2' HD12 ' A' ' 36' ' ' LEU . 21.0 t -78.5 122.55 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.961 0.41 . . . . 0.0 111.387 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.52 116.92 17.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.445 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.512 ' CG2' HG21 ' A' ' 17' ' ' THR . 19.4 t -96.77 88.4 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.585 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.612 ' HA ' HD23 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -146.15 18.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.981 179.487 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -138.2 140.66 39.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.552 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.487 ' CD1' HD11 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -95.98 37.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.051 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -159.66 -78.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.447 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 m -59.95 -39.69 86.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.382 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 t -52.53 -29.76 26.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.396 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.56 ' HZ3' HD12 ' A' ' 38' ' ' LEU . 9.1 m95 -110.24 12.07 23.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.567 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.576 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -56.86 -57.13 13.83 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.745 0.307 . . . . 0.0 111.252 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.845 ' CG ' HD23 ' A' ' 36' ' ' LEU . 18.7 p30 -89.36 8.76 29.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.353 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.86 33.36 87.04 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.636 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.925 HD21 ' CG ' ' A' ' 56' ' ' GLN . 1.4 mm? -75.0 -36.03 61.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.779 0.323 . . . . 0.0 111.131 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -64.4 -47.16 80.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.178 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.56 HD12 ' HZ3' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -65.45 -45.82 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.893 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.61 84.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.799 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.451 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -58.2 -39.38 78.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.075 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.87 -50.51 41.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.781 HG12 HD11 ' A' ' 50' ' ' LEU . 30.8 t -60.51 -49.65 83.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.249 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.426 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 75.5 t80 -56.46 -37.91 70.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.068 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -62.86 -41.35 99.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.547 HD23 ' CE2' ' A' ' 106' ' ' PHE . 3.9 mm? -73.78 -38.31 64.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.783 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.14 72.27 60.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.796 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.426 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 37.9 Cg_endo -66.48 -27.42 46.59 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.515 2.143 . . . . 0.0 111.941 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.19 0.12 88.76 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.622 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.0 mt -130.76 29.34 4.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.714 0.292 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.781 HD11 HG12 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -151.44 177.13 10.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.971 0.415 . . . . 0.0 111.113 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -163.48 63.06 1.19 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.495 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' GLN . 18.5 Cg_endo -58.67 -35.4 98.7 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.871 2.381 . . . . 0.0 112.676 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -54.28 -35.64 62.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.56 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.752 ' O ' HD13 ' A' ' 58' ' ' LEU . 5.2 tt0 -71.61 -49.93 35.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.472 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 63' ' ' ALA . 3.5 mt -81.41 -9.47 59.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.894 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.925 ' CG ' HD21 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -60.28 -33.63 72.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.632 0.253 . . . . 0.0 111.612 -179.085 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.16 -23.86 2.59 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.35 -0.928 . . . . 0.0 112.981 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.752 HD13 ' O ' ' A' ' 54' ' ' GLU . 1.8 mp -56.47 -35.41 67.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.862 0.363 . . . . 0.0 111.145 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.66 147.74 6.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.62 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.41 -54.93 5.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.818 0.342 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.59 -41.9 91.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.33 -46.92 84.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.516 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . . . -64.22 -43.58 94.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 83' ' ' ALA . 3.3 m -66.91 -50.71 61.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.006 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.58 96.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.602 ' O ' HG23 ' A' ' 70' ' ' VAL . 46.8 t90 -67.04 -39.0 86.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.835 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.64 -37.3 73.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.204 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.42 HD21 ' HB2' ' A' ' 79' ' ' PRO . 1.4 tp -64.67 -43.29 94.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.3 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -48.57 66.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.176 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 66' ' ' TRP . 26.7 t -68.53 -40.2 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.102 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.09 -44.93 79.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.032 0.444 . . . . 0.0 110.239 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.427 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 2.4 tt0 -69.83 -37.44 76.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.473 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -71.72 -41.43 68.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.579 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -81.18 -42.39 20.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.927 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.438 ' O ' HD13 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -91.38 -34.87 14.7 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.803 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 89.29 27.42 23.01 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.223 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.892 HD11 ' HB3' ' A' ' 101' ' ' HIS . 11.2 tt -106.65 126.6 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.3 . . . . 0.0 111.16 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.05 130.21 83.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.448 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 71.9 Cg_endo -76.68 142.28 22.79 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.618 2.212 . . . . 0.0 112.505 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.607 ' O ' HG12 ' A' ' 80' ' ' VAL . 17.7 t -126.58 21.44 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 p -149.76 152.71 11.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -98.49 151.79 20.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.94 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.461 ' HA ' HG21 ' A' ' 64' ' ' THR . . . -60.41 -43.62 96.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -54.91 -40.2 69.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.225 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.88 79.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 82' ' ' SER . 39.1 t -67.68 -47.92 78.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.362 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 33' ' ' ALA . 12.5 p -61.34 -32.22 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.323 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.02 -13.63 52.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.585 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.36 24.15 36.62 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.608 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 p -107.54 42.87 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.955 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -158.2 70.24 3.93 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.99 -42.84 27.95 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.628 2.219 . . . . 0.0 112.298 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.32 -36.11 75.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.35 -42.91 33.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.454 HD21 ' CD2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -61.81 -43.17 99.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.303 . . . . 0.0 110.949 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.488 HG23 ' CD1' ' A' ' 9' ' ' LEU . 20.6 mt -67.79 -44.96 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.07 93.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.448 ' CE1' ' HA ' ' A' ' 79' ' ' PRO . 5.3 t80 -69.13 -38.59 78.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.556 HD11 ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -58.24 -35.06 71.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.0 m -60.03 -44.24 94.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.892 ' HB3' HD11 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -64.39 -45.0 89.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.802 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -40.59 96.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.742 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.433 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 34.0 t-80 -65.95 -45.96 79.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.0 t -59.59 -43.94 93.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.55 -44.35 64.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.547 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.4 m-85 -69.23 -27.84 65.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.976 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.83 0.347 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.53 -46.98 85.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 1.7 pt-20 -64.72 -31.43 72.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.962 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.523 ' CD2' HG23 ' A' ' 96' ' ' ILE . 55.0 tp -70.57 -48.49 55.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.916 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -34.87 78.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -65.57 -41.05 93.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.427 ' CH2' ' HG3' ' A' ' 16' ' ' GLN . 80.4 t90 -67.66 -44.88 76.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.2 t -59.79 -45.5 92.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.033 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -62.37 -37.5 85.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -45.73 80.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 24.5 mm-40 -66.99 -27.12 67.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.962 HG22 ' HB3' ' A' ' 40' ' ' ALA . 2.2 p -88.16 7.5 31.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.375 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.55 144.79 31.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.855 0.36 . . . . 0.0 111.051 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.55 -22.22 4.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.654 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 10.4 m-85 -92.11 132.65 31.92 Favored Pre-proline 0 C--N 1.33 -0.264 0 O-C-N 122.857 -0.202 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 18.4 Cg_exo -66.22 63.15 0.49 Allowed 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.597 2.198 . . . . 0.0 112.326 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.73 41.31 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.139 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 23' ' ' VAL . 14.8 p -90.06 120.77 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 0.0 111.191 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -129.85 78.78 1.87 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.577 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 t -113.76 88.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.239 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.21 22.37 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' A' ' 31' ' ' SER . 14.4 m-20 -138.12 148.98 45.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.644 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 mt -98.52 38.51 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.049 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 t -173.9 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.328 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -55.74 -26.45 45.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.65 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 14.9 t -68.43 -30.67 69.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.962 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 19.0 m95 -97.9 14.31 27.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.408 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.696 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -54.3 -57.41 11.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.835 0.35 . . . . 0.0 111.163 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.822 ' CG ' HD23 ' A' ' 36' ' ' LEU . 17.4 p30 -86.5 -0.25 55.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.248 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.29 37.23 70.93 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.542 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.859 HD21 ' HG2' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -75.03 -35.96 61.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.671 0.272 . . . . 0.0 111.334 -179.726 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.575 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -65.54 -47.44 75.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.824 0.345 . . . . 0.0 111.266 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -69.69 -38.55 77.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.41 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 2.9 m -67.49 -48.6 66.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.837 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.962 ' HB3' HG22 ' A' ' 17' ' ' THR . . . -55.63 -41.08 73.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.229 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 38' ' ' LEU . 13.2 mt -62.73 -50.21 71.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 38' ' ' LEU . 45.0 t -60.82 -48.97 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.43 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 58.6 t80 -55.46 -37.92 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.004 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -43.14 99.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.448 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.2 mm? -74.73 -40.31 61.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.728 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -143.82 78.58 14.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.594 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 59.0 Cg_endo -72.21 -28.61 15.31 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.609 2.206 . . . . 0.0 112.396 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.72 -34.65 72.64 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.561 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.559 ' O ' HD12 ' A' ' 50' ' ' LEU . 1.9 mt -95.5 22.02 7.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.652 0.263 . . . . 0.0 111.396 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -144.47 166.0 26.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.023 0.44 . . . . 0.0 111.198 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 3.2 mm-40 -156.99 49.4 0.38 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.509 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 17.9 Cg_endo -59.0 -18.39 42.83 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.708 2.272 . . . . 0.0 112.69 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.1 m -54.56 -44.64 73.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.028 0.442 . . . . 0.0 110.375 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.858 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -71.73 -50.04 33.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.761 179.475 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.569 HD23 ' OE1' ' A' ' 62' ' ' GLU . 1.4 mt -67.96 -9.97 49.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.684 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.859 ' HG2' HD21 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -60.67 -39.8 89.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.671 0.272 . . . . 0.0 111.057 -179.674 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.07 -9.94 6.49 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.88 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.858 HD12 ' O ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -68.5 -24.92 64.73 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.691 -0.299 . . . . 0.0 110.924 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.49 141.82 3.41 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.572 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.41 -59.56 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 111.002 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -37.51 82.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.569 ' OE1' HD23 ' A' ' 55' ' ' LEU . 10.2 tt0 -64.62 -42.67 95.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.96 -43.65 95.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -66.09 -50.48 63.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.214 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.6 ' O ' HG22 ' A' ' 70' ' ' VAL . 8.7 t90 -66.94 -47.88 70.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.02 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.3 84.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.32 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.35 -46.07 85.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.246 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.21 -48.46 73.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.16 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 66' ' ' TRP . 31.5 m -68.54 -39.37 80.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.284 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.87 -46.32 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.615 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 8.2 pt-20 -69.79 -36.96 76.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.461 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.404 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 1.5 m-80 -69.7 -41.0 75.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.541 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.83 -42.46 21.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 75' ' ' LEU . 6.6 mp -92.05 -32.24 15.26 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 89.11 28.68 19.81 Favored Glycine 0 CA--C 1.517 0.169 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.307 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.47 HG23 ' CE1' ' A' ' 101' ' ' HIS . 18.8 mt -107.41 123.62 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 111.13 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.4 m -74.77 129.06 84.28 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.6 149.75 38.37 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.465 2.11 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 80' ' ' VAL . 21.8 t -127.03 1.5 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.705 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.9 m -145.74 160.33 12.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.748 0.308 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.12 156.33 19.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.826 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.8 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -65.05 -43.57 91.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -63.93 -33.49 75.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.53 -46.25 70.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.423 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.765 HG23 ' CD2' ' A' ' 95' ' ' LEU . 9.1 p -70.34 -43.02 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.226 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 83' ' ' ALA . 48.5 t -64.34 -39.19 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 111.104 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.01 -13.49 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.462 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.69 30.31 76.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.546 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 p -98.54 31.1 2.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.55 71.35 2.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -62.0 -42.15 32.08 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.586 2.191 . . . . 0.0 112.232 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.8 mt -58.23 -36.22 72.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.64 -42.83 45.85 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.572 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.765 ' CD2' HG23 ' A' ' 86' ' ' VAL . 34.6 mt -60.1 -43.17 95.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 111.039 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.523 HG23 ' CD2' ' A' ' 9' ' ' LEU . 50.5 mt -67.88 -41.1 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.996 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.12 96.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -69.1 -41.47 77.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.38 -33.25 70.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.762 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t -62.99 -36.73 84.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.785 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.47 ' CE1' HG23 ' A' ' 77' ' ' ILE . 4.3 t-80 -70.31 -39.11 75.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.745 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.404 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 13.3 m-85 -68.14 -38.19 81.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -63.39 -48.49 77.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.2 m -59.36 -37.52 78.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.91 -40.57 39.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.448 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.2 m-85 -65.68 -31.59 72.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.691 0.281 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -46.8 86.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.21 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 3.8 pt-20 -65.62 -31.59 72.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.138 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 9' ' ' LEU . 11.0 mt -67.43 -48.53 67.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.056 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -34.9 76.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.062 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -66.0 -40.74 91.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -67.6 -44.14 78.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.225 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.785 ' SG ' HD21 ' A' ' 99' ' ' LEU . 1.8 m -60.59 -45.6 93.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.076 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -66.18 -39.11 89.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.083 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.34 -45.57 79.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.805 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -68.74 -33.62 74.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.078 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.757 ' HB ' HG21 ' A' ' 25' ' ' VAL . 55.5 m -90.73 7.43 39.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.537 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.11 125.37 30.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.737 0.303 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.6 -32.34 2.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.675 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 47.7 m-85 -76.82 121.31 84.58 Favored Pre-proline 0 C--N 1.33 -0.27 0 O-C-N 122.863 -0.198 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 20.3 Cg_exo -65.73 117.23 4.45 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.489 2.126 . . . . 0.0 112.249 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.27 -26.94 15.2 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.417 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.44 120.49 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.976 0.417 . . . . 0.0 111.149 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.49 86.39 2.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.696 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.757 HG21 ' HB ' ' A' ' 17' ' ' THR . 21.5 t -73.37 94.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.51 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.66 19.97 0.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -138.37 137.25 37.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.699 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 mt -94.27 36.74 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 t -163.5 -70.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.037 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -33.42 75.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 t -55.6 -24.17 31.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.439 ' CD1' ' N ' ' A' ' 32' ' ' TRP . 3.8 m95 -107.53 9.5 29.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.417 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.694 ' HA ' HG13 ' A' ' 87' ' ' VAL . . . -54.64 -60.92 2.7 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.747 0.308 . . . . 0.0 111.332 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.842 ' CG ' HD23 ' A' ' 36' ' ' LEU . 23.9 p30 -83.72 3.03 34.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.335 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.38 30.51 66.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.708 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.842 HD23 ' CG ' ' A' ' 34' ' ' ASP . 1.4 mm? -74.93 -35.15 62.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.855 0.36 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.71 -47.11 67.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.338 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -64.66 -46.11 83.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.051 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 79.0 m -69.21 -34.06 74.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.805 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.617 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -59.96 -40.88 90.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 18.5 mt -70.21 -51.56 30.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 38' ' ' LEU . 36.5 t -58.99 -43.35 88.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.446 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 68.8 t80 -60.15 -37.95 81.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -40.77 98.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.497 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.4 mm? -79.22 -46.35 18.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.857 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.68 79.99 51.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.662 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.446 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 48.6 Cg_endo -68.84 -29.42 28.58 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.543 2.162 . . . . 0.0 112.501 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.91 -32.59 66.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.651 ' O ' HD22 ' A' ' 50' ' ' LEU . 2.7 mm? -97.19 25.2 5.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.61 0.243 . . . . 0.0 111.171 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.651 HD22 ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -148.02 166.91 26.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 111.074 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -154.06 61.21 3.26 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.591 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.437 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 9.4 Cg_endo -51.85 -34.52 55.64 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.911 2.407 . . . . 0.0 112.404 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.13 -48.31 70.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.863 ' O ' HD12 ' A' ' 58' ' ' LEU . 15.0 mt-10 -71.7 -50.21 32.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.225 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.612 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 44.5 mt -64.61 -14.21 56.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.749 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.83 ' CG ' HD21 ' A' ' 36' ' ' LEU . 2.1 tt0 -63.54 -39.79 95.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.56 -8.15 21.38 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.205 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.863 HD12 ' O ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -58.91 -31.55 68.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.823 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.23 155.74 6.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.525 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.87 -60.07 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.72 -37.53 82.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -46.77 67.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.053 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -64.34 -43.79 93.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.28 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.794 HG22 HD12 ' A' ' 68' ' ' LEU . 10.2 m -67.2 -49.41 64.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.61 94.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.358 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.605 ' O ' HG12 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -66.88 -50.16 63.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 111.127 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.581 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -63.18 -40.78 98.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.37 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.794 HD12 HG22 ' A' ' 64' ' ' THR . 7.0 mt -64.83 -42.25 95.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.169 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.53 -48.26 61.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.224 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 66' ' ' TRP . 14.4 p -68.49 -43.55 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.152 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.459 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -55.26 -44.08 75.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.011 0.434 . . . . 0.0 110.288 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.447 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 8.2 tt0 -69.8 -37.27 76.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.417 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -70.9 -41.38 71.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.479 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -80.99 -42.38 21.28 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.83 -40.83 9.53 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 103.84 17.06 17.66 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.624 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.1 mt -95.01 112.31 27.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.808 0.337 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.4 t -74.24 134.05 77.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.035 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.05 147.45 53.19 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.392 2.061 . . . . 0.0 112.322 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.2 -15.47 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.562 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 82' ' ' SER . 11.1 p -139.53 158.51 27.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.736 0.303 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.522 ' O ' HG23 ' A' ' 86' ' ' VAL . 8.6 t -77.34 150.01 35.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -63.32 -43.59 97.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -36.52 74.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.479 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -66.81 -45.21 79.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 82' ' ' SER . 21.7 t -62.27 -51.07 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.694 HG13 ' HA ' ' A' ' 33' ' ' ALA . 26.1 t -62.75 -35.0 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.31 53.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.57 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.27 27.98 61.1 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.592 -0.814 . . . . 0.0 112.538 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 m -102.26 31.18 4.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.479 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 14.9 m-20 -159.39 63.54 2.27 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.1 -42.32 65.57 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.536 2.158 . . . . 0.0 112.397 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -36.25 72.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.54 -39.71 68.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.556 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.03 -41.61 92.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.1 mm -67.74 -41.25 85.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.061 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.69 95.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -69.23 -45.08 70.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.785 HD21 ' SG ' ' A' ' 13' ' ' CYS . 1.3 mt -59.41 -38.43 80.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -60.54 -36.83 79.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -73.58 -39.73 64.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.003 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -41.44 85.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -66.01 -41.66 90.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.51 -43.88 96.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.045 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.27 -44.36 59.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.497 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.9 m-85 -65.81 -24.2 66.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.103 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.057 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.814 0.34 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -62.56 -46.93 86.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.48 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 3.1 pt-20 -63.67 -31.68 72.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.034 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.537 HD13 HG23 ' A' ' 96' ' ' ILE . 72.4 mt -70.42 -48.63 55.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -63.65 -39.84 95.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -59.67 -44.41 93.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.011 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.441 ' CH2' ' HG3' ' A' ' 16' ' ' GLN . 80.5 t90 -65.01 -42.92 94.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.572 ' SG ' HD11 ' A' ' 99' ' ' LEU . 0.7 OUTLIER -60.04 -45.41 92.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.966 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -61.34 -35.2 76.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -45.56 80.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 37.5 mm-40 -69.26 -30.65 68.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.717 HG23 ' CB ' ' A' ' 40' ' ' ALA . 59.0 m -95.78 7.44 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.513 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.02 125.28 30.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.66 -27.74 1.48 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.582 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -88.95 121.37 69.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.448 0.166 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -62.7 122.44 10.77 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.47 2.114 . . . . 0.0 112.295 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.43 -27.18 16.1 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.351 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.5 t -78.95 120.54 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.062 0.458 . . . . 0.0 111.059 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.47 72.12 1.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.512 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.449 HG21 HG21 ' A' ' 17' ' ' THR . 21.7 t -63.77 92.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.444 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.418 ' HA ' HD22 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -150.1 20.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.667 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -138.22 140.86 39.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.1 mt -96.65 37.84 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.027 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 m -166.58 -76.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.276 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -44.9 79.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.372 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.95 -29.02 55.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.343 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -93.72 0.31 56.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.546 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.715 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -51.0 -64.56 0.77 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.772 0.32 . . . . 0.0 111.43 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' CG ' HD23 ' A' ' 36' ' ' LEU . 15.0 p30 -79.94 -2.61 44.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.296 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.3 35.59 63.64 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.612 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.446 HD23 ' CG ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -69.12 -46.74 66.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.736 0.303 . . . . 0.0 111.15 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.08 86.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.51 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 42' ' ' VAL . 4.0 tp -64.08 -46.05 86.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.297 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.12 -45.17 86.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.205 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.717 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -56.99 -47.2 81.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.367 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' HD23 ' A' ' 45' ' ' LEU . 13.3 mt -59.57 -52.21 66.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.16 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 38' ' ' LEU . 23.6 t -58.01 -39.61 72.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.272 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.454 ' CG ' ' HG3' ' A' ' 52' ' ' PRO . 23.8 t80 -58.63 -45.27 89.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.21 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -35.61 80.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.947 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.419 ' HG ' ' CE1' ' A' ' 106' ' ' PHE . 4.4 mm? -77.97 -40.77 38.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.919 0.39 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -137.43 69.94 53.88 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.772 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.5 -25.82 34.82 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.554 2.17 . . . . 0.0 112.256 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.17 -4.74 90.12 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.796 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.889 ' O ' HD22 ' A' ' 50' ' ' LEU . 8.2 mt -136.33 31.74 2.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.809 0.304 . . . . 0.0 111.174 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.889 HD22 ' O ' ' A' ' 49' ' ' LEU . 2.1 mm? -141.99 161.53 37.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.967 0.413 . . . . 0.0 111.246 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -146.79 64.98 9.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.297 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.454 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 14.7 Cg_endo -56.44 -49.76 14.01 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.955 2.437 . . . . 0.0 112.655 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.4 m -53.91 -29.85 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.211 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.846 ' O ' HD13 ' A' ' 58' ' ' LEU . 2.7 tt0 -71.62 -50.38 31.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.348 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 3.7 mm? -84.47 -9.7 58.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.921 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -60.48 -37.32 80.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.58 -26.56 3.08 Favored Glycine 0 N--CA 1.454 -0.135 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.864 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.846 HD13 ' O ' ' A' ' 54' ' ' GLU . 2.2 mp -50.35 -35.3 27.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 0.0 111.354 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.48 150.17 6.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.727 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.715 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -77.39 -57.98 3.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.739 0.304 . . . . 0.0 111.06 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.493 HD23 HG21 ' A' ' 87' ' ' VAL . 89.5 mt -58.57 -37.69 76.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -41.68 83.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.97 -42.49 97.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.2 m -66.84 -50.67 61.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.55 96.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.028 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.669 ' O ' HG12 ' A' ' 70' ' ' VAL . 22.0 t90 -66.97 -41.07 87.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.425 ' HA ' HG12 ' A' ' 70' ' ' VAL . . . -67.61 -39.21 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.205 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.03 -43.54 92.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.018 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -68.38 -48.22 65.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 66' ' ' TRP . 12.1 p -68.35 -40.69 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.026 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.41 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -55.47 -44.85 76.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.051 0.453 . . . . 0.0 110.335 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.486 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 0.3 OUTLIER -69.85 -37.5 76.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.432 179.3 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -69.87 -41.04 75.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.305 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.03 -42.27 21.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.126 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.2 mp -100.78 -44.16 5.88 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 110.0 15.17 12.15 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.642 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.419 HG23 ' CD2' ' A' ' 101' ' ' HIS . 20.5 mt -86.06 115.15 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 111.064 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 m -74.08 129.53 84.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.07 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.91 138.51 77.88 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.509 2.139 . . . . 0.0 112.33 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.1 t -116.65 -19.9 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.531 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 82' ' ' SER . 20.4 t -131.69 159.5 43.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.772 0.32 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.776 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -84.0 157.96 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.893 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.62 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -65.1 -43.6 91.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -55.71 -46.35 77.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.033 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.71 91.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 82' ' ' SER . 29.7 t -69.16 -51.03 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 83' ' ' ALA . 24.8 t -62.57 -34.91 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.177 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.65 -13.44 51.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.512 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 56.73 33.58 63.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.523 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.12 38.74 1.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.359 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -164.02 74.16 1.71 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -61.94 -42.73 28.85 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.517 2.144 . . . . 0.0 112.338 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.53 -41.22 89.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.48 -39.63 60.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.535 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.449 ' O ' HD13 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -59.98 -42.41 94.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.537 HG23 HD13 ' A' ' 9' ' ' LEU . 15.2 mt -67.55 -41.11 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.67 85.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.44 ' CE2' ' CE1' ' A' ' 102' ' ' PHE . 2.9 t80 -65.44 -41.81 93.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.822 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.572 HD11 ' SG ' ' A' ' 13' ' ' CYS . 4.8 tp -58.78 -32.98 69.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.037 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.6 t -61.88 -45.77 92.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.419 ' CD2' HG23 ' A' ' 77' ' ' ILE . 1.8 t-80 -62.44 -45.26 93.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.44 ' CE1' ' CE2' ' A' ' 98' ' ' TYR . 4.9 m-85 -66.64 -45.49 78.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.426 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 0.8 OUTLIER -64.13 -51.25 64.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -29.41 70.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.03 -37.87 45.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.281 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.419 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 12.2 m-85 -80.65 -36.61 32.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.157 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.1 tttp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.014 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.768 0.318 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.72 -46.92 85.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -66.49 -31.57 72.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.99 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tp -66.43 -48.48 69.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -34.82 76.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -64.4 -40.8 96.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.428 ' CH2' ' HA ' ' A' ' 103' ' ' HIS . 78.0 t90 -67.75 -42.53 81.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.039 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.69 -45.38 93.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -62.16 -40.58 96.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.002 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -66.25 -45.74 79.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.799 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -67.4 -29.27 68.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.712 HG23 ' CB ' ' A' ' 40' ' ' ALA . 58.7 m -88.3 7.5 31.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.346 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.9 129.95 34.79 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.801 0.334 . . . . 0.0 111.079 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.67 -24.8 1.65 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.601 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.46 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 11.9 m-85 -89.75 121.34 69.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.473 0.178 . . . . 0.0 110.763 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 17.3 Cg_exo -67.03 62.26 0.62 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.638 2.225 . . . . 0.0 112.618 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.93 38.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.446 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.604 HG23 HD12 ' A' ' 36' ' ' LEU . 12.6 p -121.85 120.68 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.966 0.412 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 44.7 m170 -110.62 107.86 17.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.6 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.513 HG21 HG21 ' A' ' 17' ' ' THR . 21.3 t -113.13 90.77 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.486 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.11 20.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.034 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -138.52 142.03 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.677 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.1 mt -95.07 37.12 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 t -167.3 -76.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.015 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.6 t -58.37 -21.4 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.307 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 t -68.13 -24.59 65.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.658 ' HH2' HD11 ' A' ' 99' ' ' LEU . 3.4 m95 -107.84 16.62 23.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.271 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.847 ' HA ' HG13 ' A' ' 87' ' ' VAL . . . -55.38 -60.27 3.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.761 0.315 . . . . 0.0 111.092 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' OD2' HD23 ' A' ' 36' ' ' LEU . 31.7 p30 -86.47 5.99 32.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.206 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 39' ' ' CYS . . . 73.85 28.96 63.85 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.604 HD12 HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -69.34 -44.48 71.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.815 0.34 . . . . 0.0 111.195 -179.848 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.452 ' HB3' ' CD2' ' A' ' 32' ' ' TRP . . . -68.85 -47.09 66.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.785 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.642 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.1 mt -61.83 -46.66 88.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.395 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -71.62 -38.29 70.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.841 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.712 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -58.31 -38.39 77.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.805 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 37' ' ' ALA . 5.6 mt -69.94 -51.33 33.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.763 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 38' ' ' LEU . 32.6 t -59.03 -44.39 91.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.065 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.417 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 91.3 t80 -59.3 -37.92 78.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.982 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -41.18 99.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.666 HD23 ' CZ ' ' A' ' 106' ' ' PHE . 2.8 mm? -75.46 -37.4 60.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -140.81 77.72 21.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 48.7 Cg_endo -68.77 -16.14 41.43 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.607 2.204 . . . . 0.0 112.37 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.88 -20.08 51.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.776 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.548 ' O ' HD22 ' A' ' 50' ' ' LEU . 25.4 mt -116.17 28.15 8.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 0.0 111.24 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.548 HD22 ' O ' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -142.99 165.83 26.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.994 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -152.8 63.56 4.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.697 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -56.2 -30.43 79.81 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.874 2.383 . . . . 0.0 112.508 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.9 t -59.6 -42.46 92.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.941 ' O ' HD12 ' A' ' 58' ' ' LEU . 6.8 mt-10 -71.71 -50.44 30.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.388 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.8 HD12 ' HA ' ' A' ' 63' ' ' ALA . 3.5 mm? -68.81 -10.26 55.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.731 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.513 ' CG ' HD21 ' A' ' 36' ' ' LEU . 1.3 tm0? -64.23 -39.99 95.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.744 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.79 -11.41 11.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.979 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.941 HD12 ' O ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -57.44 -28.47 63.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.705 0.288 . . . . 0.0 110.677 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.69 169.72 13.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.71 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.76 -63.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 111.002 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.483 HD21 ' HG2' ' A' ' 84' ' ' GLN . 2.7 mm? -58.79 -37.57 76.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.3 -45.69 83.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.8 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -63.8 -43.64 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.585 HG21 ' HA ' ' A' ' 83' ' ' ALA . 2.8 m -67.34 -49.82 62.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.7 98.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.265 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.56 ' O ' HG22 ' A' ' 70' ' ' VAL . 5.5 t90 -67.06 -49.94 63.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.8 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.401 ' HA ' HG22 ' A' ' 70' ' ' VAL . . . -61.98 -38.61 89.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.475 HD22 ' HB3' ' A' ' 79' ' ' PRO . 17.8 mt -66.51 -39.11 88.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -48.41 54.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.981 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 66' ' ' TRP . 30.3 m -68.46 -46.1 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.022 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.497 ' N ' HG23 ' A' ' 70' ' ' VAL . . . -55.25 -44.35 75.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.127 0.489 . . . . 0.0 110.277 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -69.56 -37.22 76.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.366 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -69.75 -41.14 75.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.411 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -80.85 -42.41 21.59 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.5 -34.95 15.37 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.76 29.68 12.94 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.299 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.3 mt -109.74 121.56 62.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.347 . . . . 0.0 111.093 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 m -76.53 124.13 87.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.475 ' HB3' HD22 ' A' ' 68' ' ' LEU . 51.9 Cg_exo -54.72 140.14 77.05 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.499 2.132 . . . . 0.0 112.228 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.591 ' O ' HG12 ' A' ' 80' ' ' VAL . 21.6 t -115.73 8.15 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.447 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.7 p -149.07 146.22 17.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.826 0.346 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.525 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.9 OUTLIER -75.71 148.17 38.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.585 ' HA ' HG21 ' A' ' 64' ' ' THR . . . -58.99 -43.55 91.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.483 ' HG2' HD21 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -55.49 -43.67 75.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.069 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -62.85 -39.39 94.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.051 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.546 HG13 ' CD2' ' A' ' 95' ' ' LEU . 38.2 t -63.93 -46.88 92.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.297 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.847 HG13 ' HA ' ' A' ' 33' ' ' ALA . 33.1 t -73.44 -37.88 51.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.453 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.96 -13.48 53.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.642 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.37 35.76 73.27 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.422 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.7 p -84.89 -25.6 27.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.712 0.292 . . . . 0.0 111.163 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.509 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 1.8 m-20 -117.39 80.47 12.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.994 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.61 -43.02 48.47 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.531 2.154 . . . . 0.0 112.098 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -36.32 76.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.98 -41.17 88.27 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.525 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 99' ' ' LEU . 1.7 mt -61.81 -43.26 99.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.309 . . . . 0.0 110.931 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.92 -41.2 84.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.54 77.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.301 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.454 ' CE1' ' HA ' ' A' ' 79' ' ' PRO . 1.3 t80 -69.16 -39.92 78.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.658 HD11 ' HH2' ' A' ' 32' ' ' TRP . 3.6 mm? -62.37 -32.44 73.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.989 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -38.16 86.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -69.48 -44.95 70.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.003 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.67 -34.38 75.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.428 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 64.5 t-80 -62.06 -42.8 99.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.1 p -63.74 -41.18 98.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.19 90.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.666 ' CZ ' HD23 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.8 -37.87 87.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.1 tptt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.774 0.321 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.67 -44.73 95.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.24 -39.94 96.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.2 mt -59.88 -41.05 90.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.738 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.709 HD21 ' HG ' ' A' ' 28' ' ' LEU . 3.0 mm? -63.49 -40.95 98.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.732 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -59.72 -41.14 90.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.815 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -67.77 -41.72 82.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.054 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 59.9 m -63.99 -45.65 88.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.259 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.47 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 3.8 pt20 -62.01 -35.08 77.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.059 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.18 -45.77 79.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.701 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -74.31 -27.95 60.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.899 HG22 ' HB3' ' A' ' 40' ' ' ALA . 33.2 p -89.02 7.48 34.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.384 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.96 125.41 30.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.772 0.32 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.77 -25.42 2.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.618 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.851 ' O ' HG12 ' A' ' 23' ' ' VAL . 6.7 m-85 -90.9 121.51 67.95 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.489 0.185 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.99 98.49 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.426 2.084 . . . . 0.0 112.391 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.67 -8.08 9.45 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.717 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.851 HG12 ' O ' ' A' ' 20' ' ' TYR . 11.4 p -78.32 120.69 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 111.142 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -132.45 64.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.5 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.656 HG21 HG21 ' A' ' 17' ' ' THR . 21.6 t -67.41 93.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.345 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.485 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -147.42 20.68 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.688 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -138.44 143.49 39.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.621 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.709 ' HG ' HD21 ' A' ' 10' ' ' LEU . 8.4 mt -97.07 38.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.02 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -161.27 -76.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.276 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.3 t -61.14 -43.38 98.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.406 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.89 -25.48 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.453 -179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.828 ' CH2' HD21 ' A' ' 99' ' ' LEU . 18.5 m95 -101.63 -0.91 33.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.625 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.577 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -54.1 -60.21 3.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.741 0.305 . . . . 0.0 111.318 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.829 ' CG ' HD23 ' A' ' 36' ' ' LEU . 24.4 p30 -79.46 -3.62 47.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.219 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.85 33.5 60.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.626 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.91 HD21 ' HG2' ' A' ' 56' ' ' GLN . 1.3 mm? -75.05 -42.86 56.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.659 0.266 . . . . 0.0 111.232 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.35 -47.49 83.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 0.0 111.21 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 42' ' ' VAL . 16.3 mt -66.06 -46.05 79.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.704 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.415 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 4.9 m -61.56 -46.23 90.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.021 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.899 ' HB3' HG22 ' A' ' 17' ' ' THR . . . -55.2 -40.56 70.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.04 -52.52 62.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 38' ' ' LEU . 14.8 t -59.18 -49.62 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.25 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.417 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 68.8 t80 -55.41 -38.01 68.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.095 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -42.44 99.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.797 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.439 HD23 ' CE2' ' A' ' 106' ' ' PHE . 3.9 mm? -74.12 -34.71 64.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -151.21 80.93 6.3 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.774 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 56.7 Cg_endo -70.49 -37.3 7.59 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.515 2.143 . . . . 0.0 112.471 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.68 -34.53 89.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.852 ' O ' HD22 ' A' ' 50' ' ' LEU . 3.0 mm? -94.57 20.94 7.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.52 0.2 . . . . 0.0 111.209 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.852 HD22 ' O ' ' A' ' 49' ' ' LEU . 1.2 mm? -142.95 168.39 19.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.008 0.432 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 20.2 mt-10 -161.19 48.11 0.23 Allowed Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.612 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 20.5 Cg_endo -60.19 -16.86 42.71 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.695 2.263 . . . . 0.0 112.694 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.9 m -54.94 -42.2 72.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.502 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.7 -50.13 33.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.094 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' A' ' 63' ' ' ALA . 1.8 mt -71.88 -9.79 58.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.793 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.91 ' HG2' HD21 ' A' ' 36' ' ' LEU . 1.7 tt0 -60.49 -31.21 70.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 111.19 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.7 3.94 5.4 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.922 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.34 -27.07 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 111.023 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.85 140.49 3.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.53 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.577 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -74.23 -59.8 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 111.043 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.785 ' HG ' HG21 ' A' ' 87' ' ' VAL . 5.8 mt -60.76 -37.83 83.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -62.46 -46.82 86.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . . . -65.55 -42.09 92.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -50.73 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.052 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.13 -43.53 87.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.764 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -66.87 -48.0 70.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.91 -46.58 90.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.37 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.84 -46.13 86.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -64.36 -48.18 76.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.209 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 66' ' ' TRP . 38.5 t -68.39 -38.48 79.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.23 -46.45 75.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 110.764 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.475 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 13.8 pt-20 -70.19 -37.23 75.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.566 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.37 -41.35 76.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.338 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -42.47 20.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.986 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.4 -53.57 3.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 110.64 26.0 4.96 Favored Glycine 0 CA--C 1.517 0.158 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.281 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.2 mm -82.77 130.53 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.728 0.299 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.1 m -74.07 115.07 39.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.779 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.29 149.23 74.68 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.542 2.161 . . . . 0.0 112.278 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 80' ' ' VAL . 15.8 t -141.55 17.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.301 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.3 m -149.75 160.44 4.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.842 0.353 . . . . 0.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.876 ' O ' HG23 ' A' ' 86' ' ' VAL . 29.0 t -112.43 150.37 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.788 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.67 ' HB1' HD23 ' A' ' 61' ' ' LEU . . . -59.74 -43.5 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.167 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.31 -44.76 80.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.613 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.5 -38.36 80.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 82' ' ' SER . 25.8 t -66.66 -51.08 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.785 HG21 ' HG ' ' A' ' 61' ' ' LEU . 25.4 t -62.74 -31.19 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.205 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.21 -13.54 49.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.576 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.1 32.14 66.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.57 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.45 41.39 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.613 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -152.49 61.9 4.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.08 -42.8 27.59 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.609 2.206 . . . . 0.0 112.209 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.4 mt -58.55 -40.25 82.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.32 -37.4 90.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.371 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.414 ' O ' HD23 ' A' ' 99' ' ' LEU . 5.8 mp -60.82 -42.15 97.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.716 0.293 . . . . 0.0 110.786 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.6 mm -66.78 -44.27 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.067 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.76 90.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -68.94 -47.72 65.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.828 HD21 ' CH2' ' A' ' 32' ' ' TRP . 2.9 mm? -59.81 -34.06 72.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.827 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.1 t -63.03 -36.9 85.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.87 -39.31 61.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.766 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.408 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -67.46 -43.29 81.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.764 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -60.89 -48.2 82.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 m -57.94 -43.69 86.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.66 -37.37 73.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.439 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.67 -27.94 68.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.538 ' OE1' HD13 ' A' ' 28' ' ' LEU . 17.0 mt-30 . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.749 0.309 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.56 -46.9 86.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.309 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 6.9 pt-20 -67.86 -31.74 71.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.989 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 17.6 tp -72.02 -44.8 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.067 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 26' ' ' SER . 5.0 tt -63.5 -45.91 88.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.16 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -60.82 -39.88 90.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.063 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.443 ' CD2' ' CD2' ' A' ' 103' ' ' HIS . 60.9 t90 -61.98 -40.01 94.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.5 m -69.13 -45.55 69.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -36.8 84.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -66.28 -45.67 79.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.722 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -69.71 -30.6 68.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 40' ' ' ALA . 10.3 m -92.81 7.51 43.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.492 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.99 125.36 29.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.74 0.305 . . . . 0.0 111.028 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.3 -38.52 1.76 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.53 ' CE1' ' HB1' ' A' ' 40' ' ' ALA . 62.2 m-85 -67.51 127.15 93.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.529 0.204 . . . . 0.0 110.773 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.99 110.33 2.9 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.429 2.086 . . . . 0.0 112.473 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.44 -25.05 16.33 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.404 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.592 ' CG2' HD12 ' A' ' 36' ' ' LEU . 16.2 t -79.16 120.67 30.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 0.0 111.148 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -127.68 83.81 2.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.785 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.607 ' CG2' HG21 ' A' ' 17' ' ' THR . 21.7 t -77.31 103.73 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.277 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.441 ' HA ' HD21 ' A' ' 10' ' ' LEU . 5.9 m -151.06 22.85 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.956 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -138.13 147.81 44.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.538 HD13 ' OE1' ' A' ' 6' ' ' GLN . 1.2 mt -97.15 37.91 1.29 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t -174.88 -77.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.32 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.1 m -54.05 -28.8 41.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.581 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -27.04 67.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.085 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.617 ' CH2' HD21 ' A' ' 99' ' ' LEU . 29.1 m95 -96.01 13.27 27.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.545 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.64 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -57.91 -55.82 29.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.858 ' CG ' HD23 ' A' ' 36' ' ' LEU . 14.4 p30 -87.68 6.97 32.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.274 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.86 33.56 87.35 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.701 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.914 HD21 ' HG2' ' A' ' 56' ' ' GLN . 1.9 mm? -74.84 -41.53 59.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 111.276 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.414 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -62.26 -47.27 85.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.244 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.3 tp -68.27 -42.08 80.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.739 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 3.1 m -64.03 -47.39 80.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.735 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -55.66 -42.22 74.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.223 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 38' ' ' LEU . 11.4 mt -60.69 -52.36 65.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 38' ' ' LEU . 18.0 t -60.99 -45.68 98.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.237 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -55.09 -38.04 67.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -66.84 -42.01 86.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.65 HD23 ' CZ ' ' A' ' 106' ' ' PHE . 3.8 mm? -78.26 -31.46 49.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.246 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -144.67 68.62 14.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.017 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.82 -27.55 21.3 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.535 2.157 . . . . 0.0 112.136 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.27 -4.89 89.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.746 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.6 mt -129.56 26.29 5.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.814 0.307 . . . . 0.0 111.207 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.53 HD13 HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -147.6 154.47 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.994 0.426 . . . . 0.0 111.008 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 2.3 mm-40 -141.44 47.22 0.97 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.781 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 18.8 Cg_endo -58.91 -17.36 36.67 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.611 2.207 . . . . 0.0 112.714 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -57.17 -44.27 83.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.982 0.42 . . . . 0.0 110.62 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -71.68 -50.12 33.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.899 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 51' ' ' GLU . 3.3 mp -70.29 -9.9 57.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.721 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.914 ' HG2' HD21 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -60.47 -33.63 72.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.736 0.303 . . . . 0.0 111.106 -179.497 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.6 4.73 6.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.753 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -27.28 24.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.0 125.14 0.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.655 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -60.31 -59.46 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.046 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.04 -37.64 85.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.79 -45.87 92.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.9 95.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.217 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.404 ' HB ' ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -67.2 -50.68 59.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.992 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.44 97.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.656 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -66.89 -40.12 87.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.012 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.54 -39.63 73.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.32 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 79' ' ' PRO . 0.5 OUTLIER -63.88 -41.02 97.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.201 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.495 ' HE3' ' ND2' ' A' ' 73' ' ' ASN . 0.1 OUTLIER -70.86 -48.46 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.331 -179.642 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 66' ' ' TRP . 32.3 m -68.28 -44.94 83.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.451 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.479 ' N ' HG23 ' A' ' 70' ' ' VAL . . . -55.32 -46.09 76.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.974 0.416 . . . . 0.0 110.393 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.487 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 1.3 tt0 -69.86 -37.57 76.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.358 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.495 ' ND2' ' HE3' ' A' ' 69' ' ' LYS . 1.1 m-80 -68.6 -41.26 79.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.502 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -42.39 21.27 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.05 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.66 -40.34 8.65 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 96.77 26.56 10.45 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.429 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.9 tt -81.88 127.78 39.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.822 0.344 . . . . 0.0 111.199 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 t -74.14 115.13 39.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.415 ' HB3' HD21 ' A' ' 68' ' ' LEU . 50.2 Cg_exo -53.58 141.03 64.49 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.408 2.072 . . . . 0.0 112.339 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.82 -13.98 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.504 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.449 HG11 ' HA3' ' A' ' 94' ' ' GLY . 10.7 m -147.07 160.48 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 111.062 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.676 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.3 m -86.27 158.98 19.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -64.34 -43.76 93.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -57.27 -41.62 80.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.57 96.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 82' ' ' SER . 28.3 t -64.24 -51.01 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 33' ' ' ALA . 27.8 t -62.26 -31.37 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.256 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.74 -13.6 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.618 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.49 36.75 64.69 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.528 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.93 30.89 6.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 0.0 110.869 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -150.53 64.45 6.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -57.07 -42.89 58.95 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.64 2.227 . . . . 0.0 112.192 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.32 -36.89 85.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.449 ' HA3' HG11 ' A' ' 81' ' ' VAL . . . -71.51 -39.59 60.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.614 ' O ' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -60.61 -43.2 97.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.948 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.9 mt -67.76 -41.22 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.015 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.51 92.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.92 -41.99 86.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.764 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.617 HD21 ' CH2' ' A' ' 32' ' ' TRP . 3.5 mm? -60.8 -33.88 73.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.822 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.6 p -60.12 -36.96 78.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.5 -48.03 43.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -32.78 73.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.715 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.443 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 5.6 t-80 -60.69 -50.56 72.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.998 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -34.83 78.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.037 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.98 -44.49 84.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.043 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.65 ' CZ ' HD23 ' A' ' 45' ' ' LEU . 3.3 m-85 -66.0 -33.45 75.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.846 0.355 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -64.18 -46.76 82.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.36 -40.44 97.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.446 ' HB3' HD22 ' A' ' 99' ' ' LEU . 48.8 mt -66.54 -39.03 88.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.32 -45.5 91.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -59.8 -44.39 94.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.018 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -67.52 -36.74 81.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.51 -45.45 75.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.291 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 15' ' ' GLU . 5.1 pt20 -65.73 -35.42 80.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.152 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 1.4 tp10 -66.32 -45.73 79.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.379 . . . . 0.0 110.743 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.593 ' HB3' HD23 ' A' ' 41' ' ' LEU . 29.5 mm100 -65.38 -31.93 73.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.044 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.835 HG23 ' CB ' ' A' ' 40' ' ' ALA . 31.1 m -91.52 7.43 41.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.538 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.96 125.44 32.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.19 -15.96 2.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.777 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.401 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . 11.2 m-85 -94.65 121.69 62.5 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.621 0.21 . . . . 0.0 110.752 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.64 60.98 1.65 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.572 2.181 . . . . 0.0 112.739 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.91 37.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.958 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.518 ' CG2' HD12 ' A' ' 36' ' ' LEU . 24.5 t -140.54 120.95 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.249 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -117.32 119.24 34.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.665 HG21 ' CB ' ' A' ' 17' ' ' THR . 16.1 t -105.44 38.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.54 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t -96.43 19.89 11.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 111.12 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -138.15 138.06 38.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.24 36.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.133 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -164.19 -76.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 111.076 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -56.24 -27.22 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.388 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.424 ' OG ' ' CD1' ' A' ' 32' ' ' TRP . 4.1 p -68.38 -29.93 68.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.848 0.356 . . . . 0.0 111.042 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.539 ' CE2' HD21 ' A' ' 95' ' ' LEU . 7.5 m95 -98.07 4.76 49.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.398 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.604 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -51.79 -64.77 0.71 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.698 0.285 . . . . 0.0 111.308 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.852 ' CG ' HD23 ' A' ' 36' ' ' LEU . 18.5 p30 -79.42 -2.19 40.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.345 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.28 32.24 52.53 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.577 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.852 HD23 ' CG ' ' A' ' 34' ' ' ASP . 1.6 mm? -73.08 -41.57 63.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 111.029 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.36 -47.17 87.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.101 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.649 HD21 ' HE2' ' A' ' 98' ' ' TYR . 0.2 OUTLIER -63.77 -46.02 87.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -33.38 73.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.835 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -59.6 -43.28 93.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.986 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.593 HD23 ' HB3' ' A' ' 16' ' ' GLN . 3.3 mt -70.22 -52.56 22.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.253 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 38' ' ' LEU . 32.4 t -59.25 -48.0 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.017 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.449 ' CG ' ' HG3' ' A' ' 52' ' ' PRO . 90.0 t80 -56.55 -37.71 70.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.945 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -43.2 99.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.622 HD22 HD11 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -76.06 -42.47 47.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.699 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -144.17 81.66 11.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.513 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 63.0 Cg_endo -73.78 -35.24 4.63 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.582 2.188 . . . . 0.0 112.302 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.86 -20.95 70.97 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.358 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.3 mm? -91.63 -8.92 45.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.647 HD21 ' HB ' ' A' ' 70' ' ' VAL . 5.1 mp -148.62 131.79 16.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.92 0.39 . . . . 0.0 111.479 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.47 81.51 0.45 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.502 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 19.0 Cg_endo -57.91 -37.99 94.05 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.8 2.334 . . . . 0.0 112.723 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -54.06 -36.02 62.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.288 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.735 ' O ' HD13 ' A' ' 58' ' ' LEU . 6.7 tt0 -71.61 -50.22 32.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.534 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.461 HD11 ' CE3' ' A' ' 66' ' ' TRP . 5.8 mt -79.75 -9.57 59.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.983 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.824 ' CG ' HD21 ' A' ' 36' ' ' LEU . 1.5 tt0 -60.43 -34.94 74.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.722 0.296 . . . . 0.0 111.551 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.11 -23.05 3.06 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.915 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.735 HD13 ' O ' ' A' ' 54' ' ' GLU . 1.3 mp -55.07 -35.16 64.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 0.0 111.18 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.07 148.44 6.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.752 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -76.72 -56.11 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.431 HD23 ' C ' ' A' ' 61' ' ' LEU . 8.6 tt -58.59 -43.73 89.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -64.27 -41.1 97.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.9 -43.59 95.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -50.57 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.49 98.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.641 ' O ' HG23 ' A' ' 70' ' ' VAL . 7.4 t90 -66.83 -41.89 86.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.981 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.23 -39.95 74.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.317 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.14 -46.04 82.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.418 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.87 -48.61 73.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 111.299 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.647 ' HB ' HD21 ' A' ' 50' ' ' LEU . 30.0 t -68.7 -43.53 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.62 -46.24 77.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.927 0.394 . . . . 0.0 110.458 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 10.6 pt-20 -69.92 -37.31 75.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.556 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 4.9 m-80 -69.63 -41.67 75.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.431 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.31 -42.4 20.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.99 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.622 HD11 HD22 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -91.58 -42.43 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 100.56 25.0 8.92 Favored Glycine 0 CA--C 1.518 0.238 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.684 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.413 ' CG1' HD22 ' A' ' 75' ' ' LEU . 35.7 mm -91.52 125.77 44.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.806 0.336 . . . . 0.0 111.128 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m -74.1 123.31 89.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.19 142.94 77.16 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.481 2.121 . . . . 0.0 112.355 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.593 ' O ' HG12 ' A' ' 80' ' ' VAL . 21.5 t -131.61 4.78 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.663 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.7 m -149.77 150.63 13.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.815 0.34 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.496 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.3 m -86.89 147.64 25.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.418 ' O ' HG12 ' A' ' 87' ' ' VAL . . . -58.11 -43.66 87.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.221 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -59.16 -37.1 76.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.005 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.554 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.52 -45.27 72.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.158 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 82' ' ' SER . 21.4 t -65.03 -48.7 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.344 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 83' ' ' ALA . 12.4 p -61.35 -35.75 68.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.23 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.66 -13.38 39.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.487 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.33 34.6 85.56 Favored Glycine 0 C--N 1.33 0.201 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.4 m -107.46 30.99 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.72 0.295 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.554 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -148.6 70.24 10.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.07 -42.83 27.47 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.608 2.205 . . . . 0.0 112.276 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 93' ' ' LEU . 8.6 tp -59.85 -44.58 94.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.763 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.49 -32.55 84.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.324 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.539 HD21 ' CE2' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -64.55 -43.16 94.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.913 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.5 mm -64.91 -44.3 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.73 93.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.064 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.649 ' HE2' HD21 ' A' ' 38' ' ' LEU . 17.6 t80 -69.28 -46.45 67.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.446 HD22 ' HB3' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -59.7 -32.6 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -44.08 84.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -62.58 -47.9 81.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 1.0 OUTLIER -62.73 -34.05 76.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -66.23 -47.68 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.54 -41.97 92.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.02 92.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.606 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.82 -42.44 90.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.892 0.377 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -62.69 -46.81 86.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -67.29 -31.77 72.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.43 ' O ' HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -67.65 -45.69 74.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.787 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.28 -34.93 78.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -65.96 -38.52 88.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.958 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.428 ' CH2' ' HA ' ' A' ' 103' ' ' HIS . 77.2 t90 -66.33 -48.1 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.051 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.9 t -63.41 -45.52 90.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.033 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.64 ' HA ' HG22 ' A' ' 17' ' ' THR . 1.4 tt0 -67.85 -34.79 77.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.95 -45.54 85.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.6 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -65.74 -36.93 84.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.768 HG21 ' CG2' ' A' ' 25' ' ' VAL . 9.9 t -88.45 7.52 32.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.391 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.26 125.34 30.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.774 0.321 . . . . 0.0 111.046 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.81 -28.35 3.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.542 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.459 ' HH ' ' HD2' ' A' ' 43' ' ' TYR . 52.2 m-85 -76.43 133.08 71.56 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.508 0.194 . . . . 0.0 110.832 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.39 103.14 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.435 2.09 . . . . 0.0 112.362 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.1 24.01 5.89 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.966 HG22 HD13 ' A' ' 36' ' ' LEU . 20.3 t -129.84 120.64 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.023 0.44 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -135.54 77.42 1.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.799 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.768 ' CG2' HG21 ' A' ' 17' ' ' THR . 46.8 t -74.88 108.29 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.312 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.35 23.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 31' ' ' SER . 2.5 m-20 -138.17 154.38 49.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.719 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.618 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.3 mm? -97.83 37.73 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.025 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 t -175.72 -80.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.399 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.5 m -55.94 -24.01 35.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.561 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 0.5 OUTLIER -66.97 -31.03 71.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.123 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.497 ' HB2' HG12 ' A' ' 86' ' ' VAL . 6.5 m95 -103.11 20.18 18.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.248 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.751 ' HA ' HG13 ' A' ' 87' ' ' VAL . . . -57.15 -56.68 18.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.28 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 p30 -82.94 1.26 40.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.446 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.09 27.81 73.57 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.563 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.966 HD13 HG22 ' A' ' 23' ' ' VAL . 5.2 mt -75.05 -35.32 61.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.765 0.317 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.01 -47.17 85.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.059 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.754 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.3 tt -66.71 -44.03 82.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -36.5 81.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.812 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.79 -48.71 80.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 5.7 mt -61.18 -47.38 86.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.814 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 38' ' ' LEU . 24.6 t -57.92 -41.68 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.459 ' HD2' ' HH ' ' A' ' 20' ' ' TYR . 54.3 t80 -61.44 -37.86 85.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -40.25 96.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.499 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.1 mm? -84.82 -31.93 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.002 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.418 ' CG ' HG12 ' A' ' 42' ' ' VAL . 5.6 pt20 -140.78 70.35 30.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.789 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.01 -27.0 30.57 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.534 2.156 . . . . 0.0 112.304 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.57 -4.39 90.4 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.702 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.422 ' O ' HD22 ' A' ' 50' ' ' LEU . 13.9 mt -133.9 34.89 3.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.846 0.323 . . . . 0.0 111.183 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.439 HD13 ' H ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -149.72 160.18 43.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 111.122 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.439 ' H ' HD13 ' A' ' 50' ' ' LEU . 5.3 mm-40 -143.41 64.39 13.73 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.564 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.34 -36.79 94.49 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.779 2.319 . . . . 0.0 112.507 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.1 p -60.3 -40.24 89.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.929 0.395 . . . . 0.0 110.723 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.9 ' C ' HD12 ' A' ' 58' ' ' LEU . 2.1 tt0 -71.57 -50.37 31.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.035 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 63' ' ' ALA . 3.6 mm? -66.8 -13.1 61.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.38 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.733 ' CG ' HD11 ' A' ' 36' ' ' LEU . 4.5 tm0? -63.61 -39.96 95.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.783 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.75 -14.54 8.62 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.994 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.9 HD12 ' C ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -56.41 -27.94 57.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.672 0.272 . . . . 0.0 110.88 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.47 162.92 10.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.64 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -74.15 -66.57 0.7 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.918 0.39 . . . . 0.0 111.021 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.9 mp -59.54 -37.62 78.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.81 -44.42 96.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.663 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -63.78 -43.78 95.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -50.72 58.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.61 98.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.39 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.523 ' O ' HG12 ' A' ' 70' ' ' VAL . 5.6 t90 -66.95 -49.72 64.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.933 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.32 93.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.51 -45.0 85.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.239 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -63.86 -48.51 76.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.064 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 66' ' ' TRP . 12.1 p -68.42 -44.0 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.044 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.463 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -55.12 -45.41 75.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.045 0.45 . . . . 0.0 110.417 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.477 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 1.0 OUTLIER -69.89 -37.39 76.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.403 179.338 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -69.5 -41.21 76.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.44 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -42.38 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.65 -47.63 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 116.57 13.78 7.87 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.641 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.0 mm -83.7 106.07 13.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.64 0.257 . . . . 0.0 111.007 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.6 t -73.94 132.03 80.66 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.63 138.91 58.41 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.455 2.103 . . . . 0.0 112.366 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.14 -17.79 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.513 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.55 148.73 24.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 111.079 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.592 ' O ' HG23 ' A' ' 86' ' ' VAL . 50.5 m -75.77 148.73 38.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -58.2 -43.64 87.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -57.66 -39.2 76.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.621 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.48 -45.46 72.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.141 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 82' ' ' SER . 21.7 t -60.31 -51.04 77.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.294 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.751 HG13 ' HA ' ' A' ' 33' ' ' ALA . 21.8 t -67.89 -33.22 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.259 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.06 -13.36 53.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.598 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.49 31.83 67.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 p -106.05 31.35 5.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.98 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.621 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 5.6 t0 -154.66 67.94 5.54 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.04 -42.75 28.2 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.571 2.18 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.6 -44.12 89.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.99 -35.49 84.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.681 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.551 ' O ' HD23 ' A' ' 99' ' ' LEU . 4.7 tp -60.12 -43.23 95.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.3 mm -67.8 -46.95 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.2 79.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.424 ' OH ' HD11 ' A' ' 38' ' ' LEU . 14.0 t80 -68.1 -47.64 67.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.024 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 95' ' ' LEU . 3.7 mm? -58.16 -32.62 68.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.0 m -63.51 -36.84 85.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -74.65 -48.12 28.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.424 ' CE2' ' CZ ' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -62.83 -41.08 99.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.864 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.428 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 3.8 t60 -67.43 -44.23 79.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.9 m -66.63 -43.59 84.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.97 -44.41 85.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.19 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.499 ' CE2' HD23 ' A' ' 45' ' ' LEU . 4.0 m-85 -68.69 -28.86 67.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.751 ' HA ' HD12 ' A' ' 9' ' ' LEU . 2.0 tt0 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -63.4 -46.82 84.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.305 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 2.7 pt-20 -62.52 -31.63 72.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.223 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 6' ' ' GLN . 31.3 mt -66.6 -48.83 68.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.53 -38.88 92.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -59.8 -41.45 91.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -67.77 -36.49 80.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.157 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.484 ' SG ' HD21 ' A' ' 99' ' ' LEU . 1.5 m -68.9 -45.48 70.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.406 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.537 ' HA ' HG22 ' A' ' 17' ' ' THR . 4.0 pt20 -67.29 -35.36 79.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.136 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 1.3 mt-10 -66.43 -45.68 79.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 111.011 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -65.29 -34.15 77.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.251 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.537 HG22 ' HA ' ' A' ' 14' ' ' GLN . 14.8 t -86.73 7.5 26.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.474 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.23 125.37 32.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 111.131 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.66 -22.58 2.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.694 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.514 ' CE1' ' HB1' ' A' ' 40' ' ' ALA . 42.2 m-85 -81.62 140.02 47.66 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.669 0.271 . . . . 0.0 110.809 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.32 59.96 3.21 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.668 2.246 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.62 38.51 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.257 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 23' ' ' VAL . 12.0 p -113.8 120.82 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 111.08 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -140.58 94.73 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.653 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.541 HG13 ' HB3' ' A' ' 31' ' ' SER . 21.5 t -113.79 109.08 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.221 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -150.12 23.0 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.984 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.16 162.02 35.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.858 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -108.8 43.38 1.26 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.025 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.0 m -166.39 -79.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.9 m -65.75 -35.09 79.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.949 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.541 ' HB3' HG13 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -54.94 -24.18 22.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.351 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -108.66 7.99 26.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.486 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.793 ' HA ' HG13 ' A' ' 87' ' ' VAL . . . -53.99 -60.81 2.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.632 0.253 . . . . 0.0 111.478 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.607 ' OD2' HD12 ' A' ' 36' ' ' LEU . 13.3 p30 -79.46 -2.83 43.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.445 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.42 35.99 92.06 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.574 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.607 HD12 ' OD2' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -67.17 -39.57 86.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.791 0.329 . . . . 0.0 111.133 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.58 -47.01 80.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.512 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.684 ' O ' HG23 ' A' ' 42' ' ' VAL . 3.7 mp -61.67 -46.09 91.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.156 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -67.22 -42.59 83.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.917 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.514 ' HB1' ' CE1' ' A' ' 20' ' ' TYR . . . -57.98 -47.36 83.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.97 -52.35 65.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 38' ' ' LEU . 26.0 t -58.47 -42.37 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 72.7 t80 -61.1 -37.88 84.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -40.36 97.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.831 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.518 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.3 mm? -78.97 -35.99 42.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -144.25 75.86 15.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.717 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.418 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 43.0 Cg_endo -67.88 -26.56 37.95 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.571 2.18 . . . . 0.0 112.484 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.03 -28.61 68.21 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.457 ' O ' HD22 ' A' ' 50' ' ' LEU . 1.7 mt -111.51 35.75 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.685 0.278 . . . . 0.0 111.205 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.457 HD22 ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -149.11 164.4 34.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.368 . . . . 0.0 111.005 179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -152.54 64.83 5.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.67 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.88 -26.06 72.4 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.717 2.278 . . . . 0.0 112.406 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -64.76 -41.46 95.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.656 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.876 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.5 mm-40 -71.55 -50.13 34.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.015 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.587 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 18.4 mt -64.98 -14.2 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.372 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.412 ' HG2' ' CD1' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -63.96 -40.04 95.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.888 -179.364 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.03 -9.21 16.31 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.373 -0.918 . . . . 0.0 113.014 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.876 HD12 ' O ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -57.34 -29.19 63.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 110.663 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 139.88 174.62 13.84 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.663 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.732 ' HB1' HG11 ' A' ' 87' ' ' VAL . . . -77.66 -63.09 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 111.165 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.53 HD21 ' HG2' ' A' ' 84' ' ' GLN . 0.1 OUTLIER -62.94 -37.56 87.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.78 -46.82 77.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -67.84 -43.91 78.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.149 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.534 HG22 HD12 ' A' ' 68' ' ' LEU . 19.6 m -67.44 -50.58 58.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.223 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.43 98.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.425 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.718 ' CZ3' HG21 ' A' ' 70' ' ' VAL . 27.0 t90 -66.91 -49.94 63.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.041 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.41 82.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.352 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.534 HD12 HG22 ' A' ' 64' ' ' THR . 0.2 OUTLIER -64.9 -40.34 94.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.292 -179.762 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -70.9 -48.47 53.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.242 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.718 HG21 ' CZ3' ' A' ' 66' ' ' TRP . 23.8 t -68.71 -46.75 79.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.154 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.427 ' HB2' HG21 ' A' ' 42' ' ' VAL . . . -55.3 -44.26 75.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.044 0.449 . . . . 0.0 110.257 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.415 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 2.1 tm-20 -69.78 -37.28 76.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.402 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -70.85 -41.4 71.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.643 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -81.16 -42.3 21.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 35.3 mt -93.18 -33.14 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 93.41 20.77 31.31 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.406 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.4 mt -92.27 116.34 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.803 0.335 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 2.5 t -74.16 136.93 75.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 78' ' ' THR . 51.1 Cg_exo -55.35 142.95 78.6 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.496 2.131 . . . . 0.0 112.385 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.655 HG11 ' HB1' ' A' ' 97' ' ' ALA . 20.3 t -113.87 -26.72 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.259 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 82' ' ' SER . 9.4 p -138.09 159.08 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.949 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.483 ' N ' HG22 ' A' ' 81' ' ' VAL . 1.4 t -75.52 154.48 36.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.78 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -65.09 -43.64 91.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.53 ' HG2' HD21 ' A' ' 61' ' ' LEU . 3.4 mm100 -60.43 -37.05 79.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.984 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.489 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.58 -46.32 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.443 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.676 HG23 HD11 ' A' ' 95' ' ' LEU . 9.1 p -70.42 -44.91 76.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.41 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.793 HG13 ' HA ' ' A' ' 33' ' ' ALA . 47.9 t -62.59 -38.11 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.42 53.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.476 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.72 31.34 80.58 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.35 31.1 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.666 0.27 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.489 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -161.39 77.24 2.32 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.918 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.97 -38.1 60.4 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.654 2.236 . . . . 0.0 112.228 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.3 -38.81 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.829 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.81 -38.8 56.3 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.676 HD11 HG23 ' A' ' 86' ' ' VAL . 3.6 mm? -60.04 -43.18 95.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.76 0.314 . . . . 0.0 110.939 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.645 HD11 ' OE1' ' A' ' 6' ' ' GLN . 59.2 mt -67.91 -41.39 84.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.959 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.655 ' HB1' HG11 ' A' ' 80' ' ' VAL . . . -58.81 -40.16 83.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.049 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -66.73 -46.58 75.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.484 HD21 ' SG ' ' A' ' 13' ' ' CYS . 4.5 mp -58.45 -38.63 77.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 53.1 m -60.19 -45.64 92.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.017 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -44.21 90.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.94 -41.45 82.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -65.86 -41.45 91.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.961 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 53.9 p -60.17 -43.85 95.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.16 -42.68 45.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.518 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.87 -31.18 71.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 tttm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.75 0.31 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -62.75 -46.91 85.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.111 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.54 -31.64 67.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -68.37 -47.61 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -34.86 78.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.778 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -65.93 -38.0 87.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.414 ' CD2' ' CD2' ' A' ' 103' ' ' HIS . 42.4 t90 -67.66 -38.91 84.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.477 ' SG ' HD21 ' A' ' 99' ' ' LEU . 2.0 t -64.74 -45.43 86.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -67.42 -38.97 85.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.32 -45.71 79.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.516 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -66.62 -31.25 71.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.723 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.802 HG23 ' CB ' ' A' ' 40' ' ' ALA . 62.3 m -88.44 7.36 33.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.313 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.58 128.93 34.17 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.787 0.327 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.21 -24.31 2.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.622 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.453 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 34.6 m-85 -85.45 121.43 73.61 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.393 0.139 . . . . 0.0 110.739 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 16.7 Cg_exo -67.64 61.19 0.83 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.61 2.207 . . . . 0.0 112.698 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.86 40.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.769 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.435 HG22 HD22 ' A' ' 36' ' ' LEU . 40.8 t -140.54 120.84 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 111.078 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -122.62 127.67 49.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.773 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 t -121.02 98.34 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.332 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -152.47 23.95 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 31' ' ' SER . 1.6 m-20 -138.01 148.13 44.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.732 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.3 mm? -96.3 36.91 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.281 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 t -170.44 -80.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.81 0.338 . . . . 0.0 111.398 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -54.4 -25.85 27.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.527 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -66.11 -27.79 68.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.076 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.664 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 3.8 m95 -110.84 18.08 19.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.26 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.641 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -58.02 -56.3 23.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.697 0.284 . . . . 0.0 111.201 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.822 ' CG ' HD12 ' A' ' 36' ' ' LEU . 10.2 p30 -87.39 7.68 27.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.298 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.43 29.3 74.0 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.878 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.822 HD12 ' CG ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -75.09 -38.7 61.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 111.18 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.664 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -61.59 -47.4 85.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.281 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.632 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -65.61 -45.92 81.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -34.45 77.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.736 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.802 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -60.1 -43.72 95.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.47 HD23 ' CE2' ' A' ' 106' ' ' PHE . 2.6 mp -66.74 -52.28 46.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.658 HG12 ' CD1' ' A' ' 50' ' ' LEU . 11.8 t -58.82 -47.86 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.465 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 69.8 t80 -55.32 -37.99 68.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -43.0 99.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.774 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.46 -33.43 54.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.803 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.465 HE21 ' CD ' ' A' ' 74' ' ' GLU . 1.5 mm100 -151.14 81.44 6.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.504 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 55.4 Cg_endo -70.2 -36.97 8.71 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.476 2.117 . . . . 0.0 112.497 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.11 -29.23 74.35 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.92 24.02 5.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.575 0.226 . . . . 0.0 111.495 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.658 ' CD1' HG12 ' A' ' 42' ' ' VAL . 1.2 mp -153.97 176.42 12.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.408 . . . . 0.0 111.286 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -157.25 61.84 2.47 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.611 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.429 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 10.4 Cg_endo -53.47 -34.51 72.28 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.875 2.383 . . . . 0.0 112.409 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.8 p -55.69 -45.07 77.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.455 ' O ' HD13 ' A' ' 58' ' ' LEU . 7.5 mt-10 -71.62 -50.22 32.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.226 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.499 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 2.0 mt -67.72 -14.48 62.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.507 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.787 ' HG3' HD11 ' A' ' 36' ' ' LEU . 11.8 tt0 -60.74 -39.77 89.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.471 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.81 -17.62 5.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.796 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -54.07 -30.58 48.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.961 0.41 . . . . 0.0 110.906 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.46 156.42 7.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.567 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -76.49 -55.6 5.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.782 0.325 . . . . 0.0 111.033 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.24 -37.41 77.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -70.04 -45.22 67.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.037 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.8 -44.01 94.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.196 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.732 ' CG2' ' HB1' ' A' ' 83' ' ' ALA . 12.8 t -67.59 -47.52 69.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.444 ' N ' HG23 ' A' ' 64' ' ' THR . . . -66.37 -43.51 85.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.342 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.672 ' O ' HG22 ' A' ' 70' ' ' VAL . 19.6 t90 -66.9 -41.59 86.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.823 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HA ' HG22 ' A' ' 70' ' ' VAL . . . -70.46 -37.87 74.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 68' ' ' LEU . 11.6 mt -65.68 -40.89 92.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.048 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -70.47 -48.34 56.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.1 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 66' ' ' TRP . 28.8 m -68.25 -42.36 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.428 ' N ' HG23 ' A' ' 70' ' ' VAL . . . -55.59 -43.87 76.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.087 0.47 . . . . 0.0 110.241 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 29.1 tt0 -69.84 -37.34 76.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.415 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -71.0 -41.42 70.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.472 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.465 ' CD ' HE21 ' A' ' 46' ' ' GLN . 1.8 tm-20 -81.14 -42.35 21.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.022 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 75' ' ' LEU . 3.8 tt -91.14 -33.76 15.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -178.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 83.0 34.99 19.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.354 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.658 HD11 ' HB3' ' A' ' 101' ' ' HIS . 1.7 tt -111.11 128.98 67.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.858 0.361 . . . . 0.0 111.18 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 m -74.3 124.07 89.64 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.454 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 49.6 Cg_exo -55.64 155.0 23.12 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.412 2.075 . . . . 0.0 112.323 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 80' ' ' VAL . 21.4 t -126.27 -1.92 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.768 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 82' ' ' SER . 21.5 t -144.9 159.11 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.809 0.338 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.485 ' N ' HG12 ' A' ' 81' ' ' VAL . 2.2 m -84.4 158.01 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.732 ' HB1' ' CG2' ' A' ' 64' ' ' THR . . . -64.98 -43.58 92.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.327 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -33.33 75.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.072 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.36 -46.27 70.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.392 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 83' ' ' ALA . 16.0 m -64.42 -40.92 90.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.43 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 83' ' ' ALA . 63.1 t -69.86 -32.66 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.0 -13.52 38.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.553 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.12 31.36 68.83 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.556 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -98.64 31.95 2.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.3 75.62 3.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -62.08 -42.8 27.61 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.633 2.222 . . . . 0.0 112.211 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.3 -39.02 93.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.98 -44.26 91.98 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.97 -42.82 94.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.5 mt -67.63 -41.12 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.33 97.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.454 ' CE1' ' HA ' ' A' ' 79' ' ' PRO . 2.4 t80 -69.13 -40.01 78.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.477 HD21 ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -58.92 -41.24 86.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.2 t -60.39 -36.76 78.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.658 ' HB3' HD11 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -66.0 -42.51 89.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -62.71 -35.88 81.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.414 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 10.4 t-80 -64.26 -41.6 96.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.5 m -56.43 -41.31 76.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.02 -40.24 22.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.47 ' CE2' HD23 ' A' ' 41' ' ' LEU . 3.3 m-85 -65.76 -38.99 90.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.5 tttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.777 0.322 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.76 -46.86 86.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.119 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 4.6 pt-20 -65.59 -31.63 72.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.404 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -66.03 -46.02 79.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.733 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.99 -34.88 78.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -41.27 97.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -67.56 -36.87 81.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.11 -45.52 84.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.011 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.15 -36.51 81.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -45.51 79.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.546 ' HB3' HD23 ' A' ' 41' ' ' LEU . 1.1 mp0 -69.39 -30.73 68.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.731 ' HB ' HG21 ' A' ' 25' ' ' VAL . 13.7 m -94.24 7.56 44.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.512 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.67 129.42 34.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.874 0.368 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.73 -26.03 2.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.673 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.703 ' O ' HG12 ' A' ' 23' ' ' VAL . 19.2 m-85 -86.36 121.33 72.46 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.465 0.174 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.79 101.82 0.4 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.379 2.053 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.5 22.75 4.31 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.433 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 20' ' ' TYR . 12.6 p -111.02 120.37 61.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.053 0.454 . . . . 0.0 111.061 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -117.75 73.49 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.564 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.731 HG21 ' HB ' ' A' ' 17' ' ' THR . 21.7 t -72.6 94.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.419 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -151.25 20.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -138.4 141.64 39.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.56 36.85 1.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 t -165.63 -68.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -61.17 -37.15 81.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 62.5 m -55.07 -26.77 39.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.277 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.624 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 4.6 m95 -104.18 8.72 36.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.414 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.761 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -55.43 -58.7 6.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.71 0.29 . . . . 0.0 111.301 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.757 ' CG ' HD12 ' A' ' 36' ' ' LEU . 10.9 p30 -79.44 -3.35 46.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.335 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.92 26.0 63.32 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.744 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.816 HD11 ' CG ' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -75.08 -36.3 61.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.726 0.298 . . . . 0.0 111.046 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.624 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -63.9 -47.13 81.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.277 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 42' ' ' VAL . 4.4 tp -68.43 -46.09 70.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.717 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 57.8 m -66.25 -37.49 85.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.783 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.71 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -59.6 -44.78 93.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.973 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.546 HD23 ' HB3' ' A' ' 16' ' ' GLN . 16.9 mt -62.91 -52.36 63.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.756 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.675 HG12 HD21 ' A' ' 50' ' ' LEU . 11.8 t -59.89 -42.63 89.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.442 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 81.0 t80 -60.05 -37.82 80.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.66 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -41.47 99.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.549 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.565 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.3 mm? -75.59 -30.43 59.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.45 ' O ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -149.86 82.59 6.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.597 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.442 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 50.7 Cg_endo -69.41 -26.05 29.63 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.6 2.2 . . . . 0.0 112.596 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.11 -33.87 43.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.653 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.888 ' O ' HD22 ' A' ' 50' ' ' LEU . 13.9 mt -99.13 27.58 5.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.715 0.293 . . . . 0.0 111.255 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.888 HD22 ' O ' ' A' ' 49' ' ' LEU . 2.5 mm? -142.1 164.47 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 111.019 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -154.7 64.51 4.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.36 -46.19 29.58 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.854 2.369 . . . . 0.0 112.581 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.9 p -55.04 -30.9 60.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.202 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.824 ' O ' HD13 ' A' ' 58' ' ' LEU . 25.1 tt0 -71.5 -50.02 35.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.364 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.8 HD11 ' CE3' ' A' ' 66' ' ' TRP . 1.1 mt -84.2 -9.74 58.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.683 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.816 ' CG ' HD11 ' A' ' 36' ' ' LEU . 1.5 tm0? -60.33 -35.48 75.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.547 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -118.47 -25.14 2.98 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.033 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.824 HD13 ' O ' ' A' ' 54' ' ' GLU . 1.9 mp -52.98 -35.21 58.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 111.283 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.45 149.98 6.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.691 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.761 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -78.13 -55.15 5.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.085 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.57 -40.41 83.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.38 -35.38 73.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 55' ' ' LEU . . . -67.06 -43.73 81.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.513 ' HB ' ' HB1' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -65.26 -50.61 65.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.73 -43.41 90.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.8 ' CE3' HD11 ' A' ' 55' ' ' LEU . 1.6 t90 -66.79 -44.94 79.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.717 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -63.69 -39.58 94.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.271 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.01 -44.05 93.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.293 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -68.67 -48.41 64.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.349 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 66' ' ' TRP . 26.8 m -68.26 -40.66 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.298 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.12 78.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.975 0.417 . . . . 0.0 110.442 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.522 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 5.2 tm-20 -69.87 -37.43 76.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.567 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -69.52 -41.21 76.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.384 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.22 -42.32 20.95 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.17 -42.11 6.16 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 96.56 28.3 9.1 Favored Glycine 0 N--CA 1.454 -0.115 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.235 -179.26 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.858 HD11 ' HB3' ' A' ' 101' ' ' HIS . 0.5 OUTLIER -93.41 122.51 44.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 111.044 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.9 m -74.18 115.17 40.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.413 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 44.3 Cg_endo -68.26 122.35 9.38 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.473 2.115 . . . . 0.0 112.208 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.591 ' O ' HG12 ' A' ' 80' ' ' VAL . 14.0 t -102.52 19.29 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.424 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -149.75 147.97 15.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.828 0.347 . . . . 0.0 111.031 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.5 m -82.87 159.92 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.76 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -64.99 -43.55 92.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -63.52 -33.87 76.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.55 -46.29 69.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.255 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 87' ' ' VAL . 8.4 p -70.56 -41.47 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.186 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 83' ' ' ALA . 59.2 t -67.74 -36.41 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.968 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.58 -13.46 37.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.504 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.0 28.34 60.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.609 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 t -79.06 -32.47 44.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.775 0.322 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.437 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -107.52 78.17 0.66 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.04 -42.8 27.86 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.491 2.127 . . . . 0.0 112.223 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.3 mt -58.41 -41.15 84.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.838 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.04 -37.66 93.34 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.38 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -42.72 96.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.9 mm -65.24 -41.16 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.59 92.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.597 ' HE2' HD11 ' A' ' 38' ' ' LEU . 11.2 t80 -69.27 -38.69 78.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.81 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.442 HD21 ' HH2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -58.37 -38.57 77.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.841 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 t -60.41 -42.02 95.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.776 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.858 ' HB3' HD11 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -64.72 -41.9 95.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -43.28 78.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -62.79 -43.19 99.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.8 m -58.59 -33.13 69.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.43 -44.29 17.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.565 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.2 m-85 -66.84 -33.07 74.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.04 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tptt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 -179.875 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.825 0.345 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.44 -46.87 68.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.478 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -65.42 -31.67 72.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 111.097 -179.799 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 69.2 mt -67.13 -46.34 74.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.32 -34.8 78.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -65.99 -38.34 88.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -67.65 -39.22 84.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -69.48 -45.45 68.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -60.91 -38.88 87.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -66.34 -45.49 80.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.798 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -68.37 -28.04 66.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.76 HG23 ' CB ' ' A' ' 40' ' ' ALA . 8.0 m -91.21 3.59 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.505 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.31 134.44 34.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.912 0.387 . . . . 0.0 111.079 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.77 -24.4 3.02 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.695 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.47 ' CE1' ' HB1' ' A' ' 40' ' ' ALA . 18.9 m-85 -86.14 141.61 35.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.604 0.24 . . . . 0.0 110.969 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.33 62.77 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.592 2.195 . . . . 0.0 112.353 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.87 40.21 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.138 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.678 HG21 ' O ' ' A' ' 17' ' ' THR . 14.9 p -93.01 120.83 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.977 0.418 . . . . 0.0 111.274 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.89 74.48 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.369 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -99.17 90.48 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.591 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -147.08 21.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -138.1 148.59 45.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mp -102.07 40.2 1.37 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.102 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 t -174.0 -80.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.383 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -56.36 -22.14 29.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.449 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -30.67 71.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.164 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.621 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 6.4 m95 -95.54 13.54 25.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.484 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.731 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -56.55 -58.13 9.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.655 0.264 . . . . 0.0 111.281 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.835 ' CG ' HD12 ' A' ' 36' ' ' LEU . 11.4 p30 -79.42 -2.11 40.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.395 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.31 32.29 75.64 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.647 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.835 HD12 ' CG ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -74.94 -40.54 60.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.621 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -59.99 -47.26 86.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.356 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.603 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -66.84 -46.03 76.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.01 -42.08 97.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.023 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.76 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -57.66 -46.96 83.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.295 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 38' ' ' LEU . 3.7 mt -59.52 -52.41 65.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 38' ' ' LEU . 21.7 t -59.33 -43.29 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.448 ' CD1' ' HD2' ' A' ' 52' ' ' PRO . 72.2 t80 -59.37 -38.0 79.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.809 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -63.0 -41.97 99.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.709 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.447 HD23 ' CZ ' ' A' ' 106' ' ' PHE . 4.1 mm? -78.6 -36.38 44.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.693 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -145.55 78.86 11.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.494 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.439 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 56.6 Cg_endo -70.78 -40.24 3.89 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.575 2.183 . . . . 0.0 112.566 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.97 -30.83 70.8 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.41 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.554 ' O ' HG11 ' A' ' 70' ' ' VAL . 2.8 mm? -96.25 24.81 5.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.597 0.237 . . . . 0.0 111.305 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.584 ' CD1' HG12 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -152.35 173.09 15.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.935 0.398 . . . . 0.0 111.249 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -158.83 59.16 1.41 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.582 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.448 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 10.5 Cg_endo -53.11 -31.29 53.83 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.095 2.53 . . . . 0.0 112.553 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.91 -47.26 71.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.285 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 4.0 mt-10 -71.72 -50.22 32.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.461 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 4.7 mt -70.72 -9.77 57.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.005 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.761 ' HG3' HD11 ' A' ' 36' ' ' LEU . 12.5 tt0 -60.48 -39.81 89.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.7 0.286 . . . . 0.0 111.316 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.26 -14.12 5.58 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.837 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -60.34 -28.82 68.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.797 0.332 . . . . 0.0 110.805 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.02 151.36 6.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.915 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.731 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -76.46 -56.2 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.958 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.415 ' N ' HD22 ' A' ' 61' ' ' LEU . 3.5 mm? -60.81 -37.63 82.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -64.38 -45.29 88.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.74 -43.63 95.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.43 -45.23 76.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.164 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.36 -43.72 93.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.451 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.638 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -66.96 -50.02 63.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.382 . . . . 0.0 111.025 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.4 -40.23 95.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.264 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -45.52 88.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.192 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -66.91 -48.42 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.184 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 66' ' ' TRP . 24.7 t -68.48 -38.8 79.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.191 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.15 79.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 0.0 110.576 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.481 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 13.2 pt-20 -70.09 -37.16 75.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.511 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -69.83 -41.28 75.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.384 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -42.28 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.196 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.6 mt -96.99 -38.71 9.68 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 94.7 25.68 14.8 Favored Glycine 0 CA--C 1.517 0.188 0 C-N-CA 120.35 -0.928 . . . . 0.0 112.231 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.8 mm -92.28 125.41 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.7 m -74.08 128.68 85.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.26 143.73 51.55 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.424 2.083 . . . . 0.0 112.34 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 t -113.17 -22.48 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.335 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.2 m -145.45 153.05 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.08 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 86' ' ' VAL . 87.1 p -76.01 148.7 37.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.674 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -58.44 -43.54 88.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.112 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -39.85 69.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.86 74.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 82' ' ' SER . 21.4 t -61.57 -47.12 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.105 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 83' ' ' ALA . 35.5 t -61.25 -34.19 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.02 -13.54 47.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.529 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.44 36.23 75.97 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.447 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 m -104.8 36.05 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.953 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -161.84 63.72 1.63 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.95 -42.23 65.63 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.586 2.191 . . . . 0.0 112.231 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.16 -42.11 85.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.12 -36.91 93.85 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.275 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.455 ' HA ' HD13 ' A' ' 95' ' ' LEU . 3.7 mm? -61.48 -42.66 99.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.798 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.1 mm -64.13 -42.02 94.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.41 86.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.402 ' CE1' ' CE1' ' A' ' 102' ' ' PHE . 8.8 t80 -63.87 -48.15 77.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -39.04 78.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.0 m -60.89 -40.29 92.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -68.22 -45.44 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.402 ' CE1' ' CE1' ' A' ' 98' ' ' TYR . 2.3 m-85 -66.86 -38.14 85.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -60.02 -41.52 92.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 m -58.54 -43.87 89.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.61 -40.43 63.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.447 ' CZ ' HD23 ' A' ' 45' ' ' LEU . 3.4 m-85 -65.76 -31.29 72.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.822 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.749 0.309 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -47.06 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.324 -179.513 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -72.59 -31.61 65.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.586 ' CD2' HG23 ' A' ' 96' ' ' ILE . 12.8 tp -70.22 -46.85 63.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.502 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -63.37 -36.21 82.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -41.29 91.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.439 ' CZ2' ' HG3' ' A' ' 16' ' ' GLN . 74.1 t90 -67.65 -36.92 81.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.447 ' SG ' HD13 ' A' ' 99' ' ' LEU . 35.7 m -68.93 -45.54 70.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.29 -39.43 94.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.024 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -66.33 -45.57 79.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.994 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.439 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 12.3 mm-40 -69.37 -31.51 69.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.139 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.736 HG22 HG21 ' A' ' 23' ' ' VAL . 6.9 m -89.03 7.53 34.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.345 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.91 125.4 32.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.359 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.79 -34.26 0.88 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.64 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.643 ' O ' HG12 ' A' ' 23' ' ' VAL . 39.5 m-85 -78.16 138.7 60.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.691 0.282 . . . . 0.0 110.826 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.41 92.53 1.07 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.662 2.241 . . . . 0.0 112.492 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.33 -3.33 8.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.779 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.736 HG21 HG22 ' A' ' 17' ' ' THR . 10.2 p -78.41 120.69 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 0.0 111.01 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.27 93.52 4.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.668 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.598 HG21 ' HB ' ' A' ' 17' ' ' THR . 21.4 t -97.41 85.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.367 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.4 t -149.79 20.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -138.21 142.77 39.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.96 39.09 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.989 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 t -169.23 -78.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.348 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.9 t -56.8 -40.61 76.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.496 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.42 -27.0 33.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.401 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.618 ' CH2' HD21 ' A' ' 99' ' ' LEU . 12.6 m95 -102.28 14.58 31.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.566 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.402 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -62.85 -47.68 82.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.353 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 56.0 p-10 -86.14 5.55 33.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.389 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.52 21.68 35.73 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.847 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.674 HD22 ' HG3' ' A' ' 56' ' ' GLN . 20.8 tp -70.67 -30.44 67.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.804 0.335 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.409 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -61.91 -47.18 86.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.5 HD22 HD12 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -66.95 -46.18 75.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.69 -39.21 93.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.507 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 20' ' ' TYR . . . -59.39 -40.7 87.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.77 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 38' ' ' LEU . 10.1 mt -62.37 -51.6 66.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.738 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.551 HG12 HD13 ' A' ' 50' ' ' LEU . 22.0 t -58.75 -46.65 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.466 ' CD2' ' HD2' ' A' ' 52' ' ' PRO . 47.5 t80 -59.15 -37.74 78.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -38.2 89.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.79 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.485 HD21 ' CE2' ' A' ' 106' ' ' PHE . 3.9 mm? -86.46 -29.64 22.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.704 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -146.11 74.46 13.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.532 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 56.0 Cg_endo -70.64 -30.76 17.72 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.509 2.139 . . . . 0.0 112.252 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.77 -21.42 73.07 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.534 ' O ' HD12 ' A' ' 50' ' ' LEU . 34.7 mt -116.17 39.21 3.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.647 0.26 . . . . 0.0 111.324 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.551 HD13 HG12 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -161.34 170.7 19.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.001 0.429 . . . . 0.0 111.235 179.736 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -158.91 62.4 2.14 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.519 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.466 ' HD2' ' CD2' ' A' ' 43' ' ' TYR . 17.6 Cg_endo -57.14 -18.89 31.22 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.887 2.391 . . . . 0.0 112.676 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.4 p -62.16 -45.75 92.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.846 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -50.05 32.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.203 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 63' ' ' ALA . 4.0 mm? -62.78 -17.07 60.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.674 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.674 ' HG3' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -60.88 -39.83 90.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 111.268 -179.529 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -118.46 -10.31 8.76 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.841 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -31.13 71.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.769 0.319 . . . . 0.0 110.701 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.36 153.94 7.82 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.651 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -74.05 -64.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.319 . . . . 0.0 111.042 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 tt -62.28 -37.59 86.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.14 -44.9 96.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.037 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.61 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -63.86 -43.79 95.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.695 HG22 HD13 ' A' ' 68' ' ' LEU . 5.2 m -67.31 -50.73 58.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.54 98.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.74 ' O ' HG22 ' A' ' 70' ' ' VAL . 32.8 t90 -66.8 -42.2 86.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.999 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 71' ' ' ALA . . . -70.53 -37.68 74.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.254 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.695 HD13 HG22 ' A' ' 64' ' ' THR . 0.3 OUTLIER -66.47 -46.06 77.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.04 -179.815 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -48.49 74.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.915 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 66' ' ' TRP . 27.2 m -68.5 -38.63 79.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.015 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 67' ' ' ALA . . . -55.29 -44.24 75.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.033 0.444 . . . . 0.0 110.404 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.483 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 0.2 OUTLIER -69.66 -37.31 76.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.465 179.265 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.36 -41.19 70.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.519 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.447 ' OE1' HD13 ' A' ' 49' ' ' LEU . 36.6 mm-40 -80.8 -42.46 21.66 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.1 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.97 -45.31 5.22 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.483 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 110.17 19.72 7.89 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.691 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.7 mt -86.63 117.93 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.769 0.319 . . . . 0.0 111.108 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.4 t -74.15 133.47 78.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.36 134.17 62.33 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.44 2.093 . . . . 0.0 112.474 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.418 HG23 ' HE1' ' A' ' 98' ' ' TYR . 39.0 t -114.75 -23.72 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.273 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.2 m -130.58 160.47 41.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.495 ' O ' HG23 ' A' ' 86' ' ' VAL . 84.6 p -90.45 150.44 21.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -61.53 -43.68 98.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -37.77 67.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.85 79.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.539 HG13 HD21 ' A' ' 95' ' ' LEU . 21.6 t -66.43 -50.98 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.191 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 83' ' ' ALA . 21.8 t -63.55 -27.84 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.295 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.92 -13.47 53.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.485 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.88 27.59 59.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.61 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -112.94 31.87 6.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.705 0.288 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -155.95 57.13 1.44 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -61.97 -39.79 48.09 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.591 2.194 . . . . 0.0 112.238 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.19 -44.57 88.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.022 0.439 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.23 -36.27 89.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.273 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.539 HD21 HG13 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -61.88 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 110.803 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.586 HG23 ' CD2' ' A' ' 9' ' ' LEU . 60.9 mt -64.12 -41.22 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.72 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.67 -33.97 72.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.738 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.418 ' HE1' HG23 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -68.59 -45.55 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.785 179.813 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.618 HD21 ' CH2' ' A' ' 32' ' ' TRP . 59.8 mt -59.06 -32.74 70.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.74 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 m -59.95 -36.74 77.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.717 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -74.31 -41.74 60.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -63.42 -37.43 87.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.781 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -64.06 -45.17 89.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 m -58.69 -38.39 78.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.44 -41.67 27.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.485 ' CE2' HD21 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.87 -31.05 71.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.532 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.84 0.353 . . . . 0.0 110.967 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -62.6 -46.74 86.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.464 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 6.6 pt-20 -66.22 -33.95 76.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.845 0.355 . . . . 0.0 111.082 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.599 HD13 HG23 ' A' ' 96' ' ' ILE . 73.8 mt -73.84 -46.82 42.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.777 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -63.48 -45.98 88.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.034 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -59.71 -42.4 92.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.009 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.598 ' NE1' ' CE1' ' A' ' 103' ' ' HIS . 73.9 t90 -63.76 -44.14 94.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.781 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.8 t -64.53 -45.39 87.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -61.18 -41.08 96.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -66.28 -45.59 79.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.764 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.68 -28.88 62.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.751 HG23 ' CB ' ' A' ' 40' ' ' ALA . 57.8 m -91.33 7.42 41.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.453 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.13 143.87 33.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.2 -36.15 2.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -70.08 128.47 91.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.568 0.223 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.42 68.42 1.5 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.651 2.234 . . . . 0.0 112.525 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.7 38.41 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.287 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.743 HG21 HG22 ' A' ' 17' ' ' THR . 14.1 p -117.76 120.67 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.037 0.446 . . . . 0.0 111.214 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -121.51 68.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.651 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.671 HG23 HG22 ' A' ' 23' ' ' VAL . 21.2 t -71.95 93.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.367 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.8 m -148.51 20.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.35 142.53 39.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.455 HD11 HD11 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -98.83 39.18 1.29 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.805 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -168.76 -77.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.29 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.3 m -56.14 -39.08 71.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.349 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.35 -24.16 27.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.42 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.645 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 6.8 m95 -102.29 14.77 31.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.352 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.791 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -59.28 -54.24 49.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.415 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.849 ' CG ' HD23 ' A' ' 36' ' ' LEU . 18.1 p30 -87.95 10.06 20.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.544 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.96 30.89 77.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.697 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.904 HD21 ' CG ' ' A' ' 56' ' ' GLN . 1.6 mm? -74.03 -34.22 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.645 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -68.75 -46.95 67.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.259 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.827 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.3 mp -68.96 -45.95 69.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.181 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 93.7 m -66.36 -43.08 87.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.086 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.751 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -57.05 -45.97 82.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.164 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.0 mt -64.19 -50.53 67.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 38' ' ' LEU . 22.2 t -58.57 -39.19 74.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.358 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -69.23 -40.49 77.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.046 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -62.94 -30.66 71.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.032 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.747 HD13 ' CE2' ' A' ' 106' ' ' PHE . 1.6 mt -93.1 -50.48 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 13.3 pt20 -120.99 67.54 15.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.505 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.24 -27.52 34.77 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.587 2.192 . . . . 0.0 112.116 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.45 -15.45 72.91 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.63 34.41 4.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.693 0.282 . . . . 0.0 111.183 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.499 HD13 ' H ' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -148.85 158.62 44.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.968 0.413 . . . . 0.0 111.15 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.499 ' H ' HD13 ' A' ' 50' ' ' LEU . 31.0 mt-10 -148.33 71.09 10.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.29 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 56' ' ' GLN . 14.2 Cg_endo -56.37 -46.73 28.27 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.924 2.416 . . . . 0.0 112.655 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 p -54.0 -31.86 52.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.249 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.839 ' O ' HD13 ' A' ' 58' ' ' LEU . 53.0 tt0 -71.41 -50.31 33.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.508 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 55' ' ' LEU . 3.7 mm? -84.38 -9.62 58.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.938 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.904 ' CG ' HD21 ' A' ' 36' ' ' LEU . 2.4 tt0 -60.6 -37.56 81.77 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.46 -26.27 3.2 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.29 -0.957 . . . . 0.0 112.924 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.839 HD13 ' O ' ' A' ' 54' ' ' GLU . 1.8 mp -50.37 -34.62 24.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 111.263 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.31 150.69 6.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.715 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.791 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -77.24 -58.89 3.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.994 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.85 -37.6 76.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.6 -40.46 84.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.82 -42.77 97.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.091 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -46.8 78.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.19 -43.35 87.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.396 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.639 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.8 t90 -65.27 -49.96 67.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.992 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.7 -39.44 93.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.239 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.476 HD21 ' HB3' ' A' ' 79' ' ' PRO . 5.9 tp -65.38 -44.86 86.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -48.27 73.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.13 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 66' ' ' TRP . 32.7 m -68.49 -43.19 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.449 ' N ' HG23 ' A' ' 70' ' ' VAL . . . -55.48 -46.09 76.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 0.0 110.584 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 10.7 pt-20 -69.82 -37.1 76.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.596 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 3.8 m-20 -69.68 -41.34 75.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.478 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.78 -42.37 21.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HA ' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -90.75 -33.99 15.52 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.22 26.97 16.94 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.43 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.2 mt -99.13 125.03 52.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.792 0.329 . . . . 0.0 111.185 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -74.14 133.63 78.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.476 ' HB3' HD21 ' A' ' 68' ' ' LEU . 52.9 Cg_exo -55.07 145.39 64.38 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.587 2.191 . . . . 0.0 112.436 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.4 t -117.76 -27.72 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.334 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 82' ' ' SER . 21.6 t -136.23 159.15 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 111.076 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.488 ' N ' HG12 ' A' ' 81' ' ' VAL . 0.4 OUTLIER -85.87 156.34 20.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.991 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.56 98.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -55.46 -37.71 68.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.42 -43.85 76.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 82' ' ' SER . 21.6 t -67.75 -51.07 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.249 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 50.8 t -63.04 -36.38 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.09 -13.44 53.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.418 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.94 28.1 71.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.523 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -98.62 30.98 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.486 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 7.8 m-20 -161.41 69.48 2.46 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.05 -40.58 41.75 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.662 2.241 . . . . 0.0 112.248 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.33 -36.39 73.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.443 ' HA3' HG21 ' A' ' 81' ' ' VAL . . . -73.18 -38.77 54.13 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.442 HD22 HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.01 -43.25 95.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.599 HG23 HD13 ' A' ' 9' ' ' LEU . 32.1 mm -67.76 -46.78 81.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.02 92.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -69.05 -48.23 63.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.07 -42.01 84.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.2 t -61.77 -36.9 82.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.51 -42.17 78.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.56 -46.73 81.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.003 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.598 ' CE1' ' NE1' ' A' ' 12' ' ' TRP . 1.0 OUTLIER -66.43 -51.26 58.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 93.0 p -63.33 -42.4 98.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.406 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.45 85.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.42 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.747 ' CE2' HD13 ' A' ' 45' ' ' LEU . 24.9 m-85 -83.75 1.92 40.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.39 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.87 0.367 . . . . 0.0 110.745 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.469 ' OE1' HD11 ' A' ' 96' ' ' ILE . 98.1 mm-40 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.57 -46.86 86.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.335 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -67.28 -31.7 72.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.064 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.687 HD22 HD12 ' A' ' 96' ' ' ILE . 1.1 mp -68.73 -48.66 63.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -63.7 -38.49 91.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.779 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -59.81 -42.52 93.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.014 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.469 ' NE1' ' CE1' ' A' ' 103' ' ' HIS . 45.7 t90 -67.71 -37.89 82.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -45.65 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.402 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 8.2 pt20 -65.2 -35.03 79.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.033 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -64.23 -45.82 86.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.432 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 17.5 mm-40 -70.73 -29.85 66.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.83 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.935 HG22 ' HB3' ' A' ' 40' ' ' ALA . 14.9 p -89.98 7.51 37.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.358 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.23 135.34 35.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.801 0.334 . . . . 0.0 111.099 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.52 -28.86 2.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.52 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.648 ' O ' HG12 ' A' ' 23' ' ' VAL . 50.9 m-85 -76.8 138.32 66.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.56 0.219 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.18 93.5 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.575 2.183 . . . . 0.0 112.507 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.93 -1.95 8.49 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.626 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 20' ' ' TYR . 11.0 p -78.47 120.63 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.955 0.407 . . . . 0.0 111.075 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -129.53 61.52 1.55 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.504 HG23 HG22 ' A' ' 23' ' ' VAL . 26.0 t -72.38 102.47 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.361 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -149.66 21.94 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -138.18 144.43 40.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.753 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.479 HD23 HD22 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -95.88 35.31 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.032 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.3 m -166.25 -71.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.379 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -56.86 -43.83 81.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.314 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.24 -29.95 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.279 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.458 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 33.9 m95 -89.17 -0.38 57.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.485 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.725 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -53.01 -58.9 5.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.708 0.29 . . . . 0.0 111.453 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.865 ' CG ' HD23 ' A' ' 36' ' ' LEU . 15.3 p30 -79.48 -6.92 57.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.3 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.63 34.96 59.42 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.548 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.894 HD21 ' HG2' ' A' ' 56' ' ' GLN . 2.1 mm? -74.95 -29.35 60.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.689 0.281 . . . . 0.0 111.08 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.458 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -66.41 -47.35 73.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 111.297 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.714 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -72.51 -34.83 67.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.436 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 10.5 m -69.18 -49.19 58.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.935 ' HB3' HG22 ' A' ' 17' ' ' THR . . . -58.84 -41.44 86.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.311 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.4 -52.56 64.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.011 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 38' ' ' LEU . 25.2 t -61.89 -49.63 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.206 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.427 ' HB2' ' HG3' ' A' ' 52' ' ' PRO . 50.0 t80 -54.82 -37.95 66.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.056 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -64.16 -43.14 96.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.978 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.687 HD22 ' CZ ' ' A' ' 106' ' ' PHE . 11.1 mp -76.28 -30.87 57.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.015 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -150.76 76.75 8.04 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.775 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 61.4 Cg_endo -73.28 -27.43 13.52 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.573 2.182 . . . . 0.0 112.32 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.72 -28.0 71.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.531 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.1 mt -105.99 25.59 10.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.672 0.272 . . . . 0.0 111.243 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.595 ' CD1' HG12 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -144.75 164.11 32.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 111.196 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 27.1 mt-10 -157.26 50.84 0.45 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.695 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 50' ' ' LEU . 20.3 Cg_endo -60.29 -17.36 46.29 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.73 2.287 . . . . 0.0 112.674 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.2 m -55.51 -41.28 72.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.053 0.454 . . . . 0.0 110.546 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.583 ' O ' HD13 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -71.68 -49.97 34.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.131 179.726 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 1.8 mt -73.95 -9.85 59.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.035 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.894 ' HG2' HD21 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -60.41 -34.29 73.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.32 . . . . 0.0 111.097 -179.328 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.09 -20.27 3.09 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.784 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -58.7 -33.6 70.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.882 0.372 . . . . 0.0 111.05 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.72 141.12 3.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.725 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -67.85 -57.28 6.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.452 HD11 ' N ' ' A' ' 84' ' ' GLN . 2.6 tp -60.56 -37.5 81.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -43.0 99.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.93 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -67.31 -43.31 81.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.245 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 m -67.34 -50.74 58.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.065 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.63 98.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.223 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.65 ' O ' HG22 ' A' ' 70' ' ' VAL . 50.3 t90 -66.91 -42.05 86.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 71' ' ' ALA . . . -67.08 -37.38 83.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.158 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.6 mt -64.57 -46.04 84.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -48.21 72.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.154 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 66' ' ' TRP . 27.6 m -68.48 -38.55 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.987 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 67' ' ' ALA . . . -55.41 -44.03 75.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.464 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.43 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 3.1 tt0 -70.05 -37.54 75.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.395 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -68.58 -41.5 79.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.22 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -80.94 -42.37 21.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.533 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.407 HD21 HD23 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -103.79 -63.69 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.642 -179.258 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 117.24 35.22 1.13 Allowed Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.481 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.898 HG21 ' CE1' ' A' ' 102' ' ' PHE . 23.1 mm -84.13 130.41 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -74.14 115.18 40.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -57.39 135.38 69.64 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.468 2.112 . . . . 0.0 112.336 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.548 ' O ' HG12 ' A' ' 80' ' ' VAL . 21.2 t -126.73 1.16 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.714 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.1 m -149.74 160.44 4.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.803 0.335 . . . . 0.0 111.063 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.7 OUTLIER -98.25 159.41 14.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -63.79 -43.61 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.452 ' N ' HD11 ' A' ' 61' ' ' LEU . 23.6 pt20 -57.99 -36.17 72.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.46 -45.14 73.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 82' ' ' SER . 21.6 t -61.8 -48.35 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 83' ' ' ALA . 45.1 t -64.68 -30.35 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.202 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.61 52.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.514 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.5 30.3 55.43 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.584 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 m -107.65 35.83 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 0.0 110.966 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.418 ' N ' ' HD3' ' A' ' 92' ' ' PRO . 1.2 t70 -157.14 62.42 2.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.067 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 91' ' ' ASP . 40.0 Cg_exo -56.93 -42.85 59.97 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.436 2.091 . . . . 0.0 112.178 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.36 -41.99 85.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.42 -38.24 96.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.325 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.479 HD22 HD23 ' A' ' 28' ' ' LEU . 1.3 mp -61.15 -42.88 99.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.687 HD12 HD22 ' A' ' 9' ' ' LEU . 36.5 mm -63.8 -45.52 96.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.76 -43.4 85.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.42 ' CE2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -69.24 -47.09 65.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.43 -32.88 72.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.7 -37.58 82.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -72.9 -42.6 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.898 ' CE1' HG21 ' A' ' 77' ' ' ILE . 9.3 m-85 -67.76 -40.05 84.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.469 ' CE1' ' NE1' ' A' ' 12' ' ' TRP . 0.8 OUTLIER -64.63 -51.35 63.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.7 t -57.18 -38.62 73.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.83 -43.99 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.687 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 3.0 m-85 -66.08 -31.6 72.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.825 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 tttp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.784 0.326 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.71 -46.95 85.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 1.9 pt-20 -64.98 -31.6 72.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.117 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -71.81 -39.74 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.955 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -43.05 98.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.042 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -66.0 -37.85 86.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.022 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.494 ' CE2' ' CD2' ' A' ' 103' ' ' HIS . 86.8 t90 -62.94 -39.81 95.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.025 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.1 t -66.61 -45.46 79.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.938 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -64.54 -38.25 90.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -45.54 79.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.767 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -34.62 76.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.83 ' HB ' HG21 ' A' ' 25' ' ' VAL . 59.7 m -88.26 7.47 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.399 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.85 148.48 31.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.16 -30.6 6.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.593 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -85.81 121.61 73.11 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.535 0.207 . . . . 0.0 110.784 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.68 120.74 6.29 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.438 2.092 . . . . 0.0 112.459 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.96 -28.07 14.22 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.257 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.45 120.47 29.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -105.16 139.73 39.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.738 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.83 HG21 ' HB ' ' A' ' 17' ' ' THR . 21.8 t -127.03 89.01 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.276 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.59 21.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.008 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -138.19 136.46 36.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.784 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.64 37.9 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.987 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -166.61 -70.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.029 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -57.8 -42.09 83.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.214 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -24.41 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.258 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.573 ' HH2' HD21 ' A' ' 99' ' ' LEU . 17.8 m95 -98.79 1.86 46.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.605 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.681 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -54.73 -59.64 4.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.685 0.279 . . . . 0.0 111.274 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.856 ' CG ' HD23 ' A' ' 36' ' ' LEU . 24.2 p30 -79.56 -2.96 44.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.243 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.04 26.83 63.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.631 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.856 HD23 ' CG ' ' A' ' 34' ' ' ASP . 1.4 mm? -67.66 -41.43 83.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.293 . . . . 0.0 110.96 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.437 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -60.0 -47.23 86.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.239 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.09 -45.99 75.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.422 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -61.54 -45.78 92.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.957 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.39 78.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.268 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.69 -52.42 64.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.58 -49.34 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CD1' ' CD ' ' A' ' 52' ' ' PRO . 63.6 t80 -56.52 -37.87 71.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.81 -42.34 99.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.504 HD13 ' CE2' ' A' ' 106' ' ' PHE . 11.1 mp -80.69 -37.29 31.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.497 ' O ' HD23 ' A' ' 50' ' ' LEU . 7.9 mm-40 -139.51 72.78 36.71 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.769 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.439 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 59.2 Cg_endo -71.9 -25.73 19.57 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.59 2.193 . . . . 0.0 112.379 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.63 -37.34 77.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.701 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.876 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -102.16 30.03 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.713 0.292 . . . . 0.0 111.238 -179.663 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.891 HD11 HG21 ' A' ' 70' ' ' VAL . 2.8 mm? -140.02 166.73 23.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -155.35 61.55 2.98 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.419 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.452 ' CD ' ' CD1' ' A' ' 43' ' ' TYR . 19.4 Cg_endo -58.78 -35.97 97.79 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.958 2.439 . . . . 0.0 112.806 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 t -54.33 -36.53 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.124 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.59 ' O ' HD13 ' A' ' 58' ' ' LEU . 2.8 tt0 -71.75 -50.4 30.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.544 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.03 -9.64 59.6 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.818 ' CG ' HD21 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -60.43 -35.56 76.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.067 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -123.71 -8.59 6.2 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.324 -0.941 . . . . 0.0 113.346 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -72.2 -28.62 63.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.926 0.363 . . . . 0.0 111.175 -179.841 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.06 149.39 6.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.804 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.681 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -76.18 -57.15 4.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.826 0.346 . . . . 0.0 111.007 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.66 -37.59 79.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.802 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -63.8 -46.8 83.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.97 -42.2 97.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.53 -50.32 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.55 97.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.727 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -66.91 -48.9 67.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 71' ' ' ALA . . . -63.92 -38.92 92.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.2 tp -65.35 -46.02 81.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.032 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.16 -48.38 73.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.01 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.891 HG21 HD11 ' A' ' 50' ' ' LEU . 26.9 m -68.58 -38.55 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.075 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 67' ' ' ALA . . . -55.65 -46.27 77.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.665 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.458 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 10.7 pt-20 -70.11 -37.44 75.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.572 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -69.16 -41.63 76.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.282 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -81.11 -42.47 20.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.83 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.519 HD22 ' HB ' ' A' ' 77' ' ' ILE . 7.6 tt -96.43 -56.2 2.68 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -178.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 109.9 29.79 3.69 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.463 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.798 HD11 ' HB3' ' A' ' 101' ' ' HIS . 1.6 tt -95.81 128.71 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.322 . . . . 0.0 111.258 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 75.1 m -74.08 126.13 89.51 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.17 137.22 70.11 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.447 2.098 . . . . 0.0 112.276 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.5 t -113.48 -19.51 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.35 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 82' ' ' SER . 21.6 t -139.47 156.57 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.814 0.34 . . . . 0.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.443 ' N ' HG12 ' A' ' 81' ' ' VAL . 65.9 m -86.92 160.87 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -65.0 -42.83 94.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -60.84 -34.78 75.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.49 -46.58 69.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.398 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 87' ' ' VAL . 29.4 m -70.29 -45.16 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.422 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 83' ' ' ALA . 46.9 t -61.86 -33.0 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.026 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.54 52.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.474 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 56.14 27.35 51.76 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.662 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.17 36.65 2.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.74 63.64 5.96 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.51 -42.75 63.26 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.568 2.179 . . . . 0.0 112.303 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -40.89 96.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.96 -40.34 88.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.95 -42.71 94.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.8 mt -67.66 -41.19 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.92 98.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -68.67 -43.34 76.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.573 HD21 ' HH2' ' A' ' 32' ' ' TRP . 9.1 mt -59.32 -32.98 70.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.8 m -66.23 -37.04 84.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.798 ' HB3' HD11 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -69.88 -45.41 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.541 ' CE1' HG21 ' A' ' 77' ' ' ILE . 4.0 m-85 -68.14 -36.61 79.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.494 ' CD2' ' CE2' ' A' ' 12' ' ' TRP . 8.7 t-160 -62.85 -51.23 67.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.1 p -64.39 -43.78 93.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.946 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.99 -44.27 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.197 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.504 ' CE2' HD13 ' A' ' 45' ' ' LEU . 3.2 m-85 -65.88 -30.27 70.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.437 ' HD3' ' CD2' ' A' ' 103' ' ' HIS . 1.3 ttpt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 22.9 ptm . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.816 0.341 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 103.59 124.3 5.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -58.3 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -154.5 -55.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -171.61 -62.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -132.18 149.03 52.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -148.57 -47.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -132.09 -59.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.9 mtm -128.88 148.41 50.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -173.45 -58.18 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.34 -55.46 5.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.99 -29.66 70.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.32 -31.32 65.91 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.567 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -38.15 17.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -32.66 74.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.99 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.7 -46.87 86.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.39 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -70.31 -31.67 69.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.704 0.288 . . . . 0.0 111.051 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.437 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 20.8 mt -74.31 -48.56 27.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.79 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mt -63.45 -36.08 82.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -65.95 -44.38 85.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -67.73 -36.62 80.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.0 t -65.28 -45.43 84.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -63.33 -36.92 85.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.96 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.28 -45.64 79.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.802 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.78 -34.48 77.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.797 HG23 ' CB ' ' A' ' 40' ' ' ALA . 14.6 m -87.93 7.34 31.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.536 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.46 125.24 30.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.828 0.347 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.15 -31.52 1.95 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -76.84 121.43 84.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.577 0.227 . . . . 0.0 110.754 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.11 56.36 3.09 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.55 2.166 . . . . 0.0 112.707 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.99 36.29 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.654 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.433 HG13 HD12 ' A' ' 36' ' ' LEU . 22.3 t -138.08 120.84 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.09 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.86 125.82 53.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.73 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.638 HG21 ' CB ' ' A' ' 17' ' ' THR . 21.3 t -121.75 91.07 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.287 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.7 m -148.62 21.4 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.14 140.5 39.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.744 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.436 HD21 ' CG2' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -96.36 37.81 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.914 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.6 m -164.49 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.159 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -39.04 74.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.375 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.3 m -54.87 -26.5 35.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.32 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.605 ' HZ2' HD11 ' A' ' 99' ' ' LEU . 10.5 m95 -102.42 5.19 39.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.527 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.754 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -54.85 -60.97 2.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.761 0.315 . . . . 0.0 111.23 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.816 ' CG ' HD23 ' A' ' 36' ' ' LEU . 14.8 p30 -83.58 3.35 32.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.461 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.06 30.32 61.31 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.619 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.816 HD23 ' CG ' ' A' ' 34' ' ' ASP . 1.7 mm? -74.56 -46.03 41.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.68 0.276 . . . . 0.0 111.071 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.37 -47.18 87.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.833 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -66.83 -45.38 78.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.994 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.5 m -63.93 -42.62 97.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.797 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -57.81 -41.23 81.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.575 HD23 ' HE2' ' A' ' 106' ' ' PHE . 0.3 OUTLIER -68.22 -50.84 51.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 38' ' ' LEU . 12.1 t -57.94 -46.8 87.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.446 ' CG ' ' HG3' ' A' ' 52' ' ' PRO . 49.2 t80 -58.4 -37.99 76.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.952 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -37.73 88.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HG ' ' CE1' ' A' ' 106' ' ' PHE . 4.4 mm? -77.12 -42.03 39.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.46 76.97 74.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.442 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 36.0 Cg_endo -65.18 -27.18 56.73 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.539 2.159 . . . . 0.0 112.19 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.77 3.28 77.78 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.718 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.884 ' O ' HD22 ' A' ' 50' ' ' LEU . 4.3 mt -136.47 28.89 3.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.765 0.317 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.884 HD22 ' O ' ' A' ' 49' ' ' LEU . 1.8 mm? -143.28 163.72 32.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.0 0.429 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -147.81 65.1 8.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.54 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.446 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 12.1 Cg_endo -55.52 -52.37 7.8 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.757 2.305 . . . . 0.0 112.496 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.89 -29.62 42.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.839 ' O ' HD13 ' A' ' 58' ' ' LEU . 70.5 tt0 -71.51 -50.1 34.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.346 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 55' ' ' LEU . 3.9 mm? -84.3 -9.6 58.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.853 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.813 ' CG ' HD21 ' A' ' 36' ' ' LEU . 1.8 tt0 -60.56 -38.5 84.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.858 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -115.55 -25.92 3.56 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.875 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.839 HD13 ' O ' ' A' ' 54' ' ' GLU . 1.6 mp -49.25 -34.19 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.728 0.299 . . . . 0.0 111.343 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.28 155.53 7.9 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.852 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.754 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -78.78 -55.19 5.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.979 0.418 . . . . 0.0 111.043 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.694 HD23 HG21 ' A' ' 87' ' ' VAL . 21.7 mt -58.48 -40.1 81.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.31 -39.11 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.53 95.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.4 m -67.35 -50.6 59.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.56 96.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.305 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.697 ' O ' HG22 ' A' ' 70' ' ' VAL . 33.8 t90 -66.91 -50.04 63.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.95 95.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.7 mt -66.16 -41.36 90.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.63 -48.48 63.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.945 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 66' ' ' TRP . 27.1 m -68.45 -40.44 82.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.051 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.64 75.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.093 0.473 . . . . 0.0 110.244 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 45.9 tt0 -69.8 -37.43 76.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.444 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -71.02 -41.34 70.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.569 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.06 -42.32 21.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.088 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.77 -42.41 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 103.97 19.66 11.55 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.52 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.9 mm -95.78 116.06 36.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.862 0.363 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.9 m -74.31 132.96 78.3 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.9 148.54 37.5 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.572 2.181 . . . . 0.0 112.314 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.459 HG23 ' CD1' ' A' ' 98' ' ' TYR . 19.2 t -113.21 -25.02 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.253 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.482 HG21 ' HA3' ' A' ' 94' ' ' GLY . 21.6 t -133.97 158.34 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.98 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.833 ' O ' HG23 ' A' ' 86' ' ' VAL . 2.4 t -75.84 154.63 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -61.43 -43.51 98.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -55.88 -44.0 77.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.04 84.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 82' ' ' SER . 29.0 t -63.77 -51.12 73.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.694 HG21 HD23 ' A' ' 61' ' ' LEU . 22.0 t -63.17 -33.91 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.04 -13.5 52.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.572 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.63 32.29 83.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.8 p -102.31 36.45 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.67 70.42 4.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -62.04 -42.74 28.2 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.654 2.236 . . . . 0.0 112.056 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.44 -35.83 82.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.807 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.482 ' HA3' HG21 ' A' ' 81' ' ' VAL . . . -76.67 -39.8 28.5 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.654 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.515 HD11 HG13 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -64.53 -43.49 93.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.755 0.312 . . . . 0.0 111.0 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.436 ' CG2' HD21 ' A' ' 28' ' ' LEU . 2.0 pp -67.7 -41.12 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.016 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.14 96.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.459 ' CD1' HG23 ' A' ' 80' ' ' VAL . 1.1 t80 -61.41 -44.64 96.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.605 HD11 ' HZ2' ' A' ' 32' ' ' TRP . 1.3 mt -58.11 -34.33 70.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.662 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.2 m -64.61 -38.3 90.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.676 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.47 -43.67 93.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.405 ' O ' ' CD2' ' A' ' 106' ' ' PHE . 21.0 m-85 -68.21 -37.87 81.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.709 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.426 ' CE1' ' HD3' ' A' ' 107' ' ' LYS . 9.9 t60 -67.6 -45.47 75.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.85 -37.31 73.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.575 ' HE2' HD23 ' A' ' 41' ' ' LEU . 1.4 m-85 -87.19 -33.65 19.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.426 ' HD3' ' CE1' ' A' ' 103' ' ' HIS . 32.9 tptt -60.66 -32.14 71.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m -109.45 -60.82 1.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 12.3 ttm . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.845 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 77.3 mtp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.818 0.342 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 104.81 119.37 4.6 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -68.02 179.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -136.61 136.57 39.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -176.19 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -160.21 -45.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -70.56 66.33 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.22 145.73 29.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.7 ttt -120.69 115.74 23.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.033 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 125.29 -49.13 0.92 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.92 -47.97 23.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.728 0.299 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.2 73.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.99 -23.02 50.51 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.64 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.441 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -97.43 -42.31 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.908 0.385 . . . . 0.0 111.006 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -33.03 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.05 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -65.49 -38.99 91.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.054 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -62.46 -46.47 88.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.005 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 5' ' ' THR . 0.8 OUTLIER -69.53 -36.48 76.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.614 HD11 HD11 ' A' ' 28' ' ' LEU . 11.5 mt -63.55 -46.18 87.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -66.28 -32.41 73.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.058 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.446 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 52.4 t90 -67.82 -49.47 62.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.898 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -62.8 -45.4 92.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -43.39 98.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.29 -45.78 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 110.698 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -70.76 -28.51 64.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.871 HG23 ' CB ' ' A' ' 40' ' ' ALA . 59.1 m -88.1 7.5 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.44 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.65 140.99 31.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.793 0.33 . . . . 0.0 111.11 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.41 -24.53 3.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.612 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.625 ' O ' HG23 ' A' ' 23' ' ' VAL . 15.0 m-85 -86.1 145.11 39.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.675 0.274 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.21 62.76 1.46 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.555 2.17 . . . . 0.0 112.344 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.02 39.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.291 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 20' ' ' TYR . 40.2 t -88.89 120.8 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.024 0.44 . . . . 0.0 111.027 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -144.08 38.61 1.31 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.599 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.534 HG21 HG21 ' A' ' 17' ' ' THR . 21.3 t -66.24 97.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.301 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.2 m -146.16 20.84 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -138.22 146.94 43.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.528 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.614 HD11 HD11 ' A' ' 10' ' ' LEU . 1.8 mp -99.66 39.38 1.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.03 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -169.58 -80.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.386 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.6 t -57.83 -24.22 56.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.52 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.5 t -68.47 -31.97 71.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.34 . . . . 0.0 111.091 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 13.8 m95 -94.12 14.62 19.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.43 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.43 -56.52 19.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.788 0.328 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.619 ' CG ' HD23 ' A' ' 36' ' ' LEU . 11.8 p30 -86.49 0.7 53.69 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.363 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.34 36.79 79.13 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.736 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.709 HD21 ' HG3' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -74.96 -36.69 62.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 111.197 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.468 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -68.66 -47.1 67.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.509 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 42' ' ' VAL . 16.9 tp -64.03 -46.19 85.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.212 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 74.9 m -70.35 -39.02 74.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.904 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.871 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -56.57 -39.73 73.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 110.998 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.16 -52.38 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 38' ' ' LEU . 18.9 t -59.2 -36.36 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -66.19 -37.95 86.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.853 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.68 -42.58 99.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.554 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.45 -35.56 34.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.417 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.666 ' HB2' HD12 ' A' ' 49' ' ' LEU . 3.7 mt-30 -141.93 92.05 7.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.419 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.62 -50.88 2.15 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.571 2.181 . . . . 0.0 112.365 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.21 -17.64 56.33 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.83 ' HB3' HD12 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -53.61 -66.45 0.39 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.627 0.251 . . . . 0.0 111.435 -179.81 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.861 HD23 ' CE3' ' A' ' 66' ' ' TRP . 0.7 OUTLIER -135.23 157.64 46.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.969 0.414 . . . . 0.0 111.378 -179.566 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -108.01 81.24 1.19 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.527 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HB3' ' HB3' ' A' ' 39' ' ' CYS . 9.8 Cg_endo -51.69 -30.77 38.39 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.778 2.319 . . . . 0.0 112.589 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -48.65 71.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.913 0.387 . . . . 0.0 111.159 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.5 ' O ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -71.37 -50.14 35.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.711 -179.729 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.694 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 50.8 mt -70.99 -10.2 59.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.88 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.709 ' HG3' HD21 ' A' ' 36' ' ' LEU . 15.2 tt0 -60.85 -39.93 90.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.7 0.286 . . . . 0.0 111.324 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.34 -18.22 5.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.745 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -54.96 -32.01 61.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.841 0.353 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.11 132.23 1.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.478 -0.867 . . . . 0.0 112.552 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.1 -65.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.329 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.89 -37.46 84.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -45.29 92.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.15 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.78 -43.75 95.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.178 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -50.64 60.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.354 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.78 94.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.441 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.861 ' CE3' HD23 ' A' ' 50' ' ' LEU . 1.6 t90 -67.03 -37.91 84.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.543 ' HA ' HD22 ' A' ' 50' ' ' LEU . . . -70.53 -42.37 71.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.556 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.77 -42.91 76.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.682 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -69.06 -48.53 62.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.563 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.807 ' HB ' HD21 ' A' ' 50' ' ' LEU . 40.7 t -68.57 -44.55 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.207 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.22 -39.5 69.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.159 0.504 . . . . 0.0 109.922 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -37.02 75.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.251 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.99 -42.14 58.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.701 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.693 ' HB2' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -81.54 -42.59 19.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.659 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.08 -30.25 21.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.55 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.07 26.84 32.89 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 101' ' ' HIS . 15.9 tt -107.37 126.28 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -74.24 135.31 76.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.031 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.65 158.87 18.53 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.528 2.152 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.482 HG21 ' HA ' ' A' ' 98' ' ' TYR . 21.5 t -118.54 -26.15 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.453 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.492 HG22 ' N ' ' A' ' 82' ' ' SER . 10.7 p -144.36 158.79 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.492 ' N ' HG22 ' A' ' 81' ' ' VAL . 45.4 m -77.91 146.34 35.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.006 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.32 -43.7 92.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -54.8 -38.32 67.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.047 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.507 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.36 -41.07 81.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 82' ' ' SER . 21.5 t -66.87 -48.9 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.282 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 p -61.32 -34.71 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.277 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.08 -13.45 53.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.543 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.43 27.04 60.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.546 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.9 m -103.83 30.9 4.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.959 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.507 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 1.9 m-20 -159.83 70.76 3.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.01 -41.44 36.46 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.618 2.212 . . . . 0.0 112.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.25 -36.22 72.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.44 -39.85 49.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.615 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.445 HD21 ' CE2' ' A' ' 32' ' ' TRP . 0.7 OUTLIER -61.16 -43.08 99.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.659 0.266 . . . . 0.0 110.95 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.8 mm -67.24 -41.21 86.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.93 -39.09 80.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.482 ' HA ' HG21 ' A' ' 80' ' ' VAL . 5.8 t80 -69.39 -42.3 75.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.491 HD11 ' SG ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER -62.91 -34.49 77.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.9 m -59.67 -41.06 89.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.677 ' HB3' HD11 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -70.0 -44.81 68.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.475 ' CD2' ' CE1' ' A' ' 106' ' ' PHE . 0.2 OUTLIER -68.31 -41.58 80.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -65.48 -43.59 89.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 m -65.58 -38.48 89.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.97 -37.27 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.475 ' CE1' ' CD2' ' A' ' 102' ' ' PHE . 3.2 m-85 -65.81 -32.56 74.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -63.04 -30.84 71.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m -60.17 -42.7 95.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 1.2 ptp . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.806 0.336 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 143.66 88.67 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.606 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -117.57 84.62 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.84 108.62 12.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -148.51 84.11 1.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.39 69.98 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -150.38 126.68 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.818 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 7.0 t60 63.22 95.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.7 ttm -131.35 109.64 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -130.74 -67.4 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -61.68 -59.06 5.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.956 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.37 71.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.3 -26.95 59.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.6 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.418 ' O ' HD23 ' A' ' 9' ' ' LEU . 8.9 m -83.14 -47.96 11.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -63.45 -32.89 74.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.085 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -46.82 86.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 4.1 pt-20 -66.28 -31.7 72.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.009 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 9' ' ' LEU . 2.5 mm? -64.74 -48.72 73.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.831 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.859 HD13 HD12 ' A' ' 28' ' ' LEU . 6.5 tp -63.49 -35.46 80.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.82 -44.19 94.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.497 ' CZ2' ' CD2' ' A' ' 103' ' ' HIS . 58.3 t90 -67.67 -47.36 69.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.73 -45.46 94.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.045 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.626 ' HA ' HG22 ' A' ' 17' ' ' THR . 18.1 tm0? -62.75 -34.91 78.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -66.4 -45.52 79.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.779 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.428 ' HG3' ' CZ3' ' A' ' 12' ' ' TRP . 13.4 mm-40 -67.7 -35.13 78.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.22 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.772 HG21 ' CG2' ' A' ' 25' ' ' VAL . 11.9 t -87.32 7.45 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.44 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.78 136.68 36.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.881 0.372 . . . . 0.0 111.071 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.32 -35.6 2.47 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.419 ' CE1' ' HB1' ' A' ' 40' ' ' ALA . 67.9 m-85 -70.09 136.46 87.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.544 0.211 . . . . 0.0 110.791 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.68 107.21 2.41 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.505 2.137 . . . . 0.0 112.447 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.07 -24.79 15.46 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.343 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.46 120.6 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.915 0.388 . . . . 0.0 111.196 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -134.56 71.89 1.45 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.665 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.772 ' CG2' HG21 ' A' ' 17' ' ' THR . 44.6 t -68.89 106.73 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.389 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.611 ' C ' HD21 ' A' ' 10' ' ' LEU . 62.3 m -151.73 21.03 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.945 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -138.35 148.58 44.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.742 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.859 HD12 HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -94.35 35.95 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.052 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -163.78 -69.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.8 0.333 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -46.08 91.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.465 ' HB3' HG13 ' A' ' 25' ' ' VAL . 21.6 m -52.67 -26.19 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.538 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.4 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 21.2 m95 -102.89 -2.01 28.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.676 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.541 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -51.96 -47.82 64.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.673 0.273 . . . . 0.0 111.475 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.66 ' CG ' HD23 ' A' ' 36' ' ' LEU . 9.9 p30 -95.33 -6.96 39.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.332 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.72 36.25 26.32 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.565 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.66 HD23 ' CG ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -75.0 -39.96 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.733 0.301 . . . . 0.0 111.117 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.426 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -62.14 -47.32 85.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.318 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -69.72 -42.36 74.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.838 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.8 m -64.15 -48.69 75.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' HB1' ' CE1' ' A' ' 20' ' ' TYR . . . -56.86 -42.67 80.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.318 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 38' ' ' LEU . 9.6 mt -59.64 -51.74 68.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.027 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 38' ' ' LEU . 24.6 t -61.66 -49.62 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.229 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.416 ' HB2' ' HG3' ' A' ' 52' ' ' PRO . 42.5 t80 -57.95 -37.96 75.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.058 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -63.09 -40.07 96.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.178 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.455 ' CD2' ' CZ ' ' A' ' 106' ' ' PHE . 3.8 mm? -83.18 -36.52 24.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.168 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.443 ' CD ' HD12 ' A' ' 49' ' ' LEU . 1.2 mm-40 -138.87 70.74 42.85 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.65 -26.32 16.45 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.544 2.163 . . . . 0.0 112.136 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.24 -7.8 88.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.808 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.443 HD12 ' CD ' ' A' ' 46' ' ' GLN . 61.1 mt -124.6 23.33 8.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.708 0.289 . . . . 0.0 111.228 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.525 HD23 ' HD3' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -147.74 162.73 38.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.915 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.503 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 19.6 mt-10 -148.21 46.75 0.47 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.525 ' HD3' HD23 ' A' ' 50' ' ' LEU . 18.7 Cg_endo -60.01 -17.52 45.23 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.485 2.124 . . . . 0.0 112.669 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -41.64 67.36 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.945 0.402 . . . . 0.0 110.571 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.81 -49.31 39.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.687 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 1.3 mt -69.35 -10.17 56.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.963 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.497 ' CD ' HD11 ' A' ' 36' ' ' LEU . 15.5 mt-30 -60.57 -34.8 74.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.733 0.301 . . . . 0.0 110.944 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.94 -4.0 6.78 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.903 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.21 -29.6 57.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.29 141.5 3.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.541 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -71.0 -55.57 8.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 111.044 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.9 mt -58.73 -41.5 86.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.5 -46.82 84.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -64.55 -43.19 94.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.443 HG21 ' HA ' ' A' ' 83' ' ' ALA . 5.1 m -67.28 -50.66 59.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.56 -43.68 89.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.229 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.602 ' O ' HG23 ' A' ' 70' ' ' VAL . 54.8 t90 -67.0 -48.53 68.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.03 94.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.264 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.426 HD12 HG22 ' A' ' 64' ' ' THR . 15.8 mt -64.31 -46.21 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -48.27 80.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.042 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 66' ' ' TRP . 36.9 t -68.51 -40.1 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.001 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.26 77.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.612 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.464 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 11.1 pt-20 -70.1 -37.12 75.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.433 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.405 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -69.32 -41.02 77.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.535 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -80.78 -42.42 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.799 HD23 HD11 ' A' ' 77' ' ' ILE . 3.5 mp -96.18 -37.43 10.57 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 97.34 23.01 15.24 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.421 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.799 HD11 HD23 ' A' ' 75' ' ' LEU . 18.2 mt -91.49 123.99 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.779 0.323 . . . . 0.0 111.229 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 78' ' ' THR . 8.9 t -74.14 119.97 79.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.02 148.23 39.89 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.473 2.115 . . . . 0.0 112.376 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.598 ' O ' HG12 ' A' ' 80' ' ' VAL . 24.0 t -128.03 4.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.524 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.4 m -149.72 160.33 5.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.676 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.2 m -101.23 154.64 18.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.793 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.443 ' HA ' HG21 ' A' ' 64' ' ' THR . . . -59.92 -43.7 94.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -55.25 -40.99 71.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.035 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.458 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.56 -37.15 79.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.1 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 82' ' ' SER . 19.4 t -66.12 -51.0 64.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 83' ' ' ALA . 21.3 t -64.34 -26.77 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.93 -13.6 53.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.521 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.5 27.19 47.48 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.645 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.88 42.34 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.458 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 2.2 t70 -144.6 62.61 9.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.02 -42.76 28.23 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.585 2.19 . . . . 0.0 112.343 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.4 mp -61.67 -38.36 87.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.15 -38.88 38.63 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.17 -43.26 99.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.3 mt -67.77 -45.88 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.73 92.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -63.41 -47.07 83.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.65 -32.85 73.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.781 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -43.67 96.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.86 -46.48 74.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 0.2 OUTLIER -61.73 -38.98 89.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.706 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.497 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 14.4 t-160 -68.06 -41.53 81.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -43.94 88.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.9 -31.8 66.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.455 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 3.4 m-30 -73.96 -31.16 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.77 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -88.54 -31.89 18.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.012 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.9 t -57.85 -35.37 70.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.974 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.986 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 6.3 mtt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.846 0.355 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -109.71 64.35 0.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.437 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -73.44 106.22 5.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -128.8 -46.4 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -142.3 133.39 26.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -125.43 -177.91 4.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -103.58 161.88 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -93.74 -31.32 14.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.43 99.74 8.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -148.5 -86.6 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -65.62 -40.59 92.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.32 18.91 10.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.376 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.92 -34.55 1.24 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.398 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 t -70.67 -39.23 73.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.474 ' O ' HD12 ' A' ' 10' ' ' LEU . 27.3 mt-30 -63.48 -32.97 74.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.21 -46.91 84.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.267 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -63.46 -31.47 72.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.169 -179.716 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.488 ' CD1' HG23 ' A' ' 96' ' ' ILE . 58.3 mt -67.93 -44.59 76.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.915 0.388 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.612 HD23 ' HA ' ' A' ' 26' ' ' SER . 2.2 mp -63.52 -34.81 78.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -65.31 -44.33 88.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.436 ' CH2' ' HG3' ' A' ' 16' ' ' GLN . 83.1 t90 -67.68 -40.31 84.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.737 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.94 -44.64 84.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -60.87 -41.29 95.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.3 -45.59 79.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.603 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.436 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 23.9 mm100 -67.15 -31.76 72.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 17' ' ' THR . 46.9 m -87.77 7.35 30.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.431 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.88 125.35 29.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.838 0.351 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.03 -28.41 1.13 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 24.2 m-85 -88.93 121.4 69.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.476 0.179 . . . . 0.0 110.727 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 20.5 Cg_exo -65.81 68.38 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.556 2.171 . . . . 0.0 112.62 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.46 -27.54 0.68 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.994 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.428 ' CG2' HD12 ' A' ' 36' ' ' LEU . 21.0 t -78.5 122.55 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.961 0.41 . . . . 0.0 111.387 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.52 116.92 17.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.445 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.512 ' CG2' HG21 ' A' ' 17' ' ' THR . 19.4 t -96.77 88.4 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.585 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.612 ' HA ' HD23 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -146.15 18.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.981 179.487 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -138.2 140.66 39.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.552 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.487 ' CD1' HD11 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -95.98 37.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.051 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -159.66 -78.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.447 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 m -59.95 -39.69 86.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.382 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 t -52.53 -29.76 26.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.396 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.56 ' HZ3' HD12 ' A' ' 38' ' ' LEU . 9.1 m95 -110.24 12.07 23.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.567 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.576 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -56.86 -57.13 13.83 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.745 0.307 . . . . 0.0 111.252 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.845 ' CG ' HD23 ' A' ' 36' ' ' LEU . 18.7 p30 -89.36 8.76 29.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.353 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.86 33.36 87.04 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.636 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.925 HD21 ' CG ' ' A' ' 56' ' ' GLN . 1.4 mm? -75.0 -36.03 61.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.779 0.323 . . . . 0.0 111.131 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -64.4 -47.16 80.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.178 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.56 HD12 ' HZ3' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -65.45 -45.82 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.893 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.61 84.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.799 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.451 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -58.2 -39.38 78.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.075 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.87 -50.51 41.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.781 HG12 HD11 ' A' ' 50' ' ' LEU . 30.8 t -60.51 -49.65 83.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.249 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.426 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 75.5 t80 -56.46 -37.91 70.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.068 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -62.86 -41.35 99.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.547 HD23 ' CE2' ' A' ' 106' ' ' PHE . 3.9 mm? -73.78 -38.31 64.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.783 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.14 72.27 60.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.796 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.426 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 37.9 Cg_endo -66.48 -27.42 46.59 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.515 2.143 . . . . 0.0 111.941 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.19 0.12 88.76 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.622 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.0 mt -130.76 29.34 4.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.714 0.292 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.781 HD11 HG12 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -151.44 177.13 10.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.971 0.415 . . . . 0.0 111.113 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -163.48 63.06 1.19 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.495 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' GLN . 18.5 Cg_endo -58.67 -35.4 98.7 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.871 2.381 . . . . 0.0 112.676 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -54.28 -35.64 62.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.56 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.752 ' O ' HD13 ' A' ' 58' ' ' LEU . 5.2 tt0 -71.61 -49.93 35.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.472 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 63' ' ' ALA . 3.5 mt -81.41 -9.47 59.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.894 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.925 ' CG ' HD21 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -60.28 -33.63 72.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.632 0.253 . . . . 0.0 111.612 -179.085 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.16 -23.86 2.59 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.35 -0.928 . . . . 0.0 112.981 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.752 HD13 ' O ' ' A' ' 54' ' ' GLU . 1.8 mp -56.47 -35.41 67.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.862 0.363 . . . . 0.0 111.145 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.66 147.74 6.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.62 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.41 -54.93 5.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.818 0.342 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.59 -41.9 91.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.33 -46.92 84.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.516 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . . . -64.22 -43.58 94.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 83' ' ' ALA . 3.3 m -66.91 -50.71 61.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.006 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.58 96.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.602 ' O ' HG23 ' A' ' 70' ' ' VAL . 46.8 t90 -67.04 -39.0 86.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.835 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.64 -37.3 73.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.204 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.42 HD21 ' HB2' ' A' ' 79' ' ' PRO . 1.4 tp -64.67 -43.29 94.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.3 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -48.57 66.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.176 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 66' ' ' TRP . 26.7 t -68.53 -40.2 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.102 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.09 -44.93 79.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.032 0.444 . . . . 0.0 110.239 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.427 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 2.4 tt0 -69.83 -37.44 76.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.473 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -71.72 -41.43 68.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.579 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -81.18 -42.39 20.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.927 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' O ' HD13 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -91.38 -34.87 14.7 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.803 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 89.29 27.42 23.01 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.223 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.892 HD11 ' HB3' ' A' ' 101' ' ' HIS . 11.2 tt -106.65 126.6 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.3 . . . . 0.0 111.16 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.05 130.21 83.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.448 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 71.9 Cg_endo -76.68 142.28 22.79 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.618 2.212 . . . . 0.0 112.505 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.607 ' O ' HG12 ' A' ' 80' ' ' VAL . 17.7 t -126.58 21.44 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 p -149.76 152.71 11.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -98.49 151.79 20.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.94 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.461 ' HA ' HG21 ' A' ' 64' ' ' THR . . . -60.41 -43.62 96.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -54.91 -40.2 69.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.225 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.88 79.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 82' ' ' SER . 39.1 t -67.68 -47.92 78.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.362 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 33' ' ' ALA . 12.5 p -61.34 -32.22 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.323 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.02 -13.63 52.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.585 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.36 24.15 36.62 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.608 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 p -107.54 42.87 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.955 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -158.2 70.24 3.93 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.99 -42.84 27.95 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.628 2.219 . . . . 0.0 112.298 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.32 -36.11 75.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.35 -42.91 33.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.454 HD21 ' CD2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -61.81 -43.17 99.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.303 . . . . 0.0 110.949 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.488 HG23 ' CD1' ' A' ' 9' ' ' LEU . 20.6 mt -67.79 -44.96 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.07 93.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.448 ' CE1' ' HA ' ' A' ' 79' ' ' PRO . 5.3 t80 -69.13 -38.59 78.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.556 HD11 ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -58.24 -35.06 71.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.0 m -60.03 -44.24 94.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.892 ' HB3' HD11 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -64.39 -45.0 89.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.802 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -40.59 96.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.742 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.433 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 34.0 t-80 -65.95 -45.96 79.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.0 t -59.59 -43.94 93.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.55 -44.35 64.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.547 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.4 m-85 -69.23 -27.84 65.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -57.42 -39.78 76.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 t -61.49 -31.09 71.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.84 0.353 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 163.5 -61.64 0.26 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.442 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.94 151.18 44.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.731 0.3 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.6 -176.47 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.836 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -145.87 164.07 33.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -142.61 -170.95 3.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -100.8 -58.96 1.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -151.01 104.94 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.7 tpt -157.07 157.0 33.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.776 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 141.8 -58.08 0.57 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -32.89 74.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 0.0 110.858 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.39 -38.06 50.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.21 -28.44 66.23 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.54 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -68.31 -53.2 25.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.47 -32.73 74.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.11 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.53 -46.98 85.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 1.7 pt-20 -64.72 -31.43 72.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.962 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.523 ' CD2' HG23 ' A' ' 96' ' ' ILE . 55.0 tp -70.57 -48.49 55.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.916 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -34.87 78.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -65.57 -41.05 93.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.427 ' CH2' ' HG3' ' A' ' 16' ' ' GLN . 80.4 t90 -67.66 -44.88 76.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.2 t -59.79 -45.5 92.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.033 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -62.37 -37.5 85.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -45.73 80.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 24.5 mm-40 -66.99 -27.12 67.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.962 HG22 ' HB3' ' A' ' 40' ' ' ALA . 2.2 p -88.16 7.5 31.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.375 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.55 144.79 31.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.855 0.36 . . . . 0.0 111.051 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.55 -22.22 4.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.654 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 10.4 m-85 -92.11 132.65 31.92 Favored Pre-proline 0 C--N 1.33 -0.264 0 O-C-N 122.857 -0.202 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 18.4 Cg_exo -66.22 63.15 0.49 Allowed 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.597 2.198 . . . . 0.0 112.326 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.73 41.31 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.139 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 23' ' ' VAL . 14.8 p -90.06 120.77 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 0.0 111.191 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -129.85 78.78 1.87 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.577 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 t -113.76 88.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.239 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.21 22.37 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' A' ' 31' ' ' SER . 14.4 m-20 -138.12 148.98 45.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.644 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 mt -98.52 38.51 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.049 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 t -173.9 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.328 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -55.74 -26.45 45.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.65 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 14.9 t -68.43 -30.67 69.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.962 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 19.0 m95 -97.9 14.31 27.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.408 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.696 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -54.3 -57.41 11.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.835 0.35 . . . . 0.0 111.163 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.822 ' CG ' HD23 ' A' ' 36' ' ' LEU . 17.4 p30 -86.5 -0.25 55.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.248 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.29 37.23 70.93 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.542 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.859 HD21 ' HG2' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -75.03 -35.96 61.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.671 0.272 . . . . 0.0 111.334 -179.726 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.575 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -65.54 -47.44 75.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.824 0.345 . . . . 0.0 111.266 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -69.69 -38.55 77.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.41 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 2.9 m -67.49 -48.6 66.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.837 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.962 ' HB3' HG22 ' A' ' 17' ' ' THR . . . -55.63 -41.08 73.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.229 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 38' ' ' LEU . 13.2 mt -62.73 -50.21 71.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 38' ' ' LEU . 45.0 t -60.82 -48.97 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.43 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 58.6 t80 -55.46 -37.92 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.004 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -43.14 99.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.448 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.2 mm? -74.73 -40.31 61.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.728 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -143.82 78.58 14.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.594 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 59.0 Cg_endo -72.21 -28.61 15.31 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.609 2.206 . . . . 0.0 112.396 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.72 -34.65 72.64 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.561 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.559 ' O ' HD12 ' A' ' 50' ' ' LEU . 1.9 mt -95.5 22.02 7.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.652 0.263 . . . . 0.0 111.396 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -144.47 166.0 26.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.023 0.44 . . . . 0.0 111.198 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 3.2 mm-40 -156.99 49.4 0.38 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.509 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 17.9 Cg_endo -59.0 -18.39 42.83 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.708 2.272 . . . . 0.0 112.69 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.1 m -54.56 -44.64 73.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.028 0.442 . . . . 0.0 110.375 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.858 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -71.73 -50.04 33.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.761 179.475 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.569 HD23 ' OE1' ' A' ' 62' ' ' GLU . 1.4 mt -67.96 -9.97 49.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.684 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.859 ' HG2' HD21 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -60.67 -39.8 89.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.671 0.272 . . . . 0.0 111.057 -179.674 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.07 -9.94 6.49 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.88 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.858 HD12 ' O ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -68.5 -24.92 64.73 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.691 -0.299 . . . . 0.0 110.924 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.49 141.82 3.41 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.572 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.41 -59.56 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 111.002 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -37.51 82.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.569 ' OE1' HD23 ' A' ' 55' ' ' LEU . 10.2 tt0 -64.62 -42.67 95.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.96 -43.65 95.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -66.09 -50.48 63.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.214 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.6 ' O ' HG22 ' A' ' 70' ' ' VAL . 8.7 t90 -66.94 -47.88 70.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.02 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.3 84.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.32 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.35 -46.07 85.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.246 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.21 -48.46 73.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.16 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 66' ' ' TRP . 31.5 m -68.54 -39.37 80.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.284 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.87 -46.32 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.615 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 8.2 pt-20 -69.79 -36.96 76.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.461 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.404 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 1.5 m-80 -69.7 -41.0 75.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.541 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.83 -42.46 21.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 75' ' ' LEU . 6.6 mp -92.05 -32.24 15.26 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 89.11 28.68 19.81 Favored Glycine 0 CA--C 1.517 0.169 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.307 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.47 HG23 ' CE1' ' A' ' 101' ' ' HIS . 18.8 mt -107.41 123.62 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 111.13 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.4 m -74.77 129.06 84.28 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.6 149.75 38.37 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.465 2.11 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 80' ' ' VAL . 21.8 t -127.03 1.5 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.705 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.9 m -145.74 160.33 12.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.748 0.308 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.12 156.33 19.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.826 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.8 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -65.05 -43.57 91.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -63.93 -33.49 75.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.53 -46.25 70.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.423 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.765 HG23 ' CD2' ' A' ' 95' ' ' LEU . 9.1 p -70.34 -43.02 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.226 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 83' ' ' ALA . 48.5 t -64.34 -39.19 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 111.104 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.01 -13.49 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.462 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.69 30.31 76.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.546 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 p -98.54 31.1 2.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.55 71.35 2.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -62.0 -42.15 32.08 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.586 2.191 . . . . 0.0 112.232 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.8 mt -58.23 -36.22 72.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.64 -42.83 45.85 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.572 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.765 ' CD2' HG23 ' A' ' 86' ' ' VAL . 34.6 mt -60.1 -43.17 95.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 111.039 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.523 HG23 ' CD2' ' A' ' 9' ' ' LEU . 50.5 mt -67.88 -41.1 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.996 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.12 96.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -69.1 -41.47 77.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.38 -33.25 70.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.762 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t -62.99 -36.73 84.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.785 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.47 ' CE1' HG23 ' A' ' 77' ' ' ILE . 4.3 t-80 -70.31 -39.11 75.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.745 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.404 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 13.3 m-85 -68.14 -38.19 81.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -63.39 -48.49 77.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.2 m -59.36 -37.52 78.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.91 -40.57 39.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.448 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.2 m-85 -65.68 -31.59 72.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -68.43 -42.13 79.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.57 -64.66 0.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.829 0.347 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 76.68 58.27 3.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 34.4 m170 59.69 28.08 17.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.705 0.288 . . . . 0.0 110.969 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 57.78 97.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.75 170.33 21.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 60.16 31.19 20.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -130.84 130.35 43.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.89 85.59 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.804 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.87 106.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -104.71 -57.31 0.7 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.568 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -81.84 -43.18 18.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.87 0.367 . . . . 0.0 110.973 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.65 -27.94 55.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.36 -26.64 65.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.673 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.4 m -68.17 -51.81 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.984 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -63.52 -32.9 74.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.021 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -46.8 86.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.21 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 3.8 pt-20 -65.62 -31.59 72.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.138 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 9' ' ' LEU . 11.0 mt -67.43 -48.53 67.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.056 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -34.9 76.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.062 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -66.0 -40.74 91.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -67.6 -44.14 78.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.225 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.785 ' SG ' HD21 ' A' ' 99' ' ' LEU . 1.8 m -60.59 -45.6 93.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.076 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -66.18 -39.11 89.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.083 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.34 -45.57 79.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.805 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -68.74 -33.62 74.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.078 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.757 ' HB ' HG21 ' A' ' 25' ' ' VAL . 55.5 m -90.73 7.43 39.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.537 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.11 125.37 30.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.737 0.303 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.6 -32.34 2.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.675 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 47.7 m-85 -76.82 121.31 84.58 Favored Pre-proline 0 C--N 1.33 -0.27 0 O-C-N 122.863 -0.198 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 20.3 Cg_exo -65.73 117.23 4.45 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.489 2.126 . . . . 0.0 112.249 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.27 -26.94 15.2 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.417 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.44 120.49 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.976 0.417 . . . . 0.0 111.149 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.49 86.39 2.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.696 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.757 HG21 ' HB ' ' A' ' 17' ' ' THR . 21.5 t -73.37 94.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.51 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.66 19.97 0.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -138.37 137.25 37.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.699 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 mt -94.27 36.74 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 t -163.5 -70.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.037 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -33.42 75.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 t -55.6 -24.17 31.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.439 ' CD1' ' N ' ' A' ' 32' ' ' TRP . 3.8 m95 -107.53 9.5 29.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.417 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.694 ' HA ' HG13 ' A' ' 87' ' ' VAL . . . -54.64 -60.92 2.7 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.747 0.308 . . . . 0.0 111.332 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.842 ' CG ' HD23 ' A' ' 36' ' ' LEU . 23.9 p30 -83.72 3.03 34.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.335 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.38 30.51 66.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.708 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.842 HD23 ' CG ' ' A' ' 34' ' ' ASP . 1.4 mm? -74.93 -35.15 62.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.855 0.36 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.71 -47.11 67.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.338 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -64.66 -46.11 83.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.051 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 79.0 m -69.21 -34.06 74.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.805 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.617 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -59.96 -40.88 90.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 18.5 mt -70.21 -51.56 30.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 38' ' ' LEU . 36.5 t -58.99 -43.35 88.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.446 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 68.8 t80 -60.15 -37.95 81.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -40.77 98.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.497 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.4 mm? -79.22 -46.35 18.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.857 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.68 79.99 51.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.662 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.446 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 48.6 Cg_endo -68.84 -29.42 28.58 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.543 2.162 . . . . 0.0 112.501 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.91 -32.59 66.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.651 ' O ' HD22 ' A' ' 50' ' ' LEU . 2.7 mm? -97.19 25.2 5.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.61 0.243 . . . . 0.0 111.171 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.651 HD22 ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -148.02 166.91 26.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 111.074 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -154.06 61.21 3.26 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.591 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.437 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 9.4 Cg_endo -51.85 -34.52 55.64 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.911 2.407 . . . . 0.0 112.404 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.13 -48.31 70.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.863 ' O ' HD12 ' A' ' 58' ' ' LEU . 15.0 mt-10 -71.7 -50.21 32.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.225 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.612 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 44.5 mt -64.61 -14.21 56.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.749 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.83 ' CG ' HD21 ' A' ' 36' ' ' LEU . 2.1 tt0 -63.54 -39.79 95.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.56 -8.15 21.38 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.205 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.863 HD12 ' O ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -58.91 -31.55 68.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.823 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.23 155.74 6.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.525 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.87 -60.07 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.72 -37.53 82.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -46.77 67.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.053 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -64.34 -43.79 93.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.28 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.794 HG22 HD12 ' A' ' 68' ' ' LEU . 10.2 m -67.2 -49.41 64.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.61 94.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.358 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.605 ' O ' HG12 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -66.88 -50.16 63.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 111.127 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.581 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -63.18 -40.78 98.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.37 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.794 HD12 HG22 ' A' ' 64' ' ' THR . 7.0 mt -64.83 -42.25 95.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.169 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.53 -48.26 61.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.224 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 66' ' ' TRP . 14.4 p -68.49 -43.55 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.152 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.459 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -55.26 -44.08 75.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.011 0.434 . . . . 0.0 110.288 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.447 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 8.2 tt0 -69.8 -37.27 76.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.417 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -70.9 -41.38 71.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.479 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -80.99 -42.38 21.28 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.83 -40.83 9.53 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 103.84 17.06 17.66 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.624 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.1 mt -95.01 112.31 27.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.808 0.337 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.4 t -74.24 134.05 77.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.035 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.05 147.45 53.19 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.392 2.061 . . . . 0.0 112.322 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.2 -15.47 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.562 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 82' ' ' SER . 11.1 p -139.53 158.51 27.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.736 0.303 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.522 ' O ' HG23 ' A' ' 86' ' ' VAL . 8.6 t -77.34 150.01 35.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -63.32 -43.59 97.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -36.52 74.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.479 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -66.81 -45.21 79.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 82' ' ' SER . 21.7 t -62.27 -51.07 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.694 HG13 ' HA ' ' A' ' 33' ' ' ALA . 26.1 t -62.75 -35.0 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.31 53.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.57 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.27 27.98 61.1 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.592 -0.814 . . . . 0.0 112.538 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 m -102.26 31.18 4.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.479 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 14.9 m-20 -159.39 63.54 2.27 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.1 -42.32 65.57 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.536 2.158 . . . . 0.0 112.397 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -36.25 72.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.54 -39.71 68.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.556 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.03 -41.61 92.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.1 mm -67.74 -41.25 85.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.061 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.69 95.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -69.23 -45.08 70.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.785 HD21 ' SG ' ' A' ' 13' ' ' CYS . 1.3 mt -59.41 -38.43 80.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -60.54 -36.83 79.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -73.58 -39.73 64.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.003 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -41.44 85.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -66.01 -41.66 90.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.51 -43.88 96.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.045 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.27 -44.36 59.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.497 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.9 m-85 -65.81 -24.2 66.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.103 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.24 -38.94 69.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.057 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -50.3 73.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.3 tpp . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.875 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.808 0.337 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -141.6 136.76 7.59 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.532 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -112.38 134.27 54.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 62.47 -80.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 58.27 -170.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 44.6 m80 60.02 165.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -167.61 125.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -136.44 101.73 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.6 mtp -176.02 92.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -149.55 -60.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -93.84 17.61 11.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.628 0.252 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.12 -35.73 3.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.74 0.305 . . . . 0.0 111.092 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.86 -27.46 41.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.1 p -75.5 -48.77 21.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.978 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -63.54 -32.88 74.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.146 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -62.56 -46.93 86.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.48 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 3.1 pt-20 -63.67 -31.68 72.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.034 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.537 HD13 HG23 ' A' ' 96' ' ' ILE . 72.4 mt -70.42 -48.63 55.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -63.65 -39.84 95.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -59.67 -44.41 93.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.011 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.441 ' CH2' ' HG3' ' A' ' 16' ' ' GLN . 80.5 t90 -65.01 -42.92 94.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.572 ' SG ' HD11 ' A' ' 99' ' ' LEU . 0.7 OUTLIER -60.04 -45.41 92.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.966 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -61.34 -35.2 76.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -45.56 80.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 37.5 mm-40 -69.26 -30.65 68.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.717 HG23 ' CB ' ' A' ' 40' ' ' ALA . 59.0 m -95.78 7.44 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.513 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.02 125.28 30.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.66 -27.74 1.48 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.582 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -88.95 121.37 69.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.448 0.166 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -62.7 122.44 10.77 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.47 2.114 . . . . 0.0 112.295 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.43 -27.18 16.1 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.351 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.5 t -78.95 120.54 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.062 0.458 . . . . 0.0 111.059 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.47 72.12 1.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.512 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.449 HG21 HG21 ' A' ' 17' ' ' THR . 21.7 t -63.77 92.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.444 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.418 ' HA ' HD22 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -150.1 20.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.667 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -138.22 140.86 39.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.1 mt -96.65 37.84 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.027 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 m -166.58 -76.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.276 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -44.9 79.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.372 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.95 -29.02 55.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.343 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -93.72 0.31 56.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.546 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.715 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -51.0 -64.56 0.77 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.772 0.32 . . . . 0.0 111.43 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' CG ' HD23 ' A' ' 36' ' ' LEU . 15.0 p30 -79.94 -2.61 44.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.296 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.3 35.59 63.64 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.612 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.446 HD23 ' CG ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -69.12 -46.74 66.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.736 0.303 . . . . 0.0 111.15 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.08 86.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.51 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 42' ' ' VAL . 4.0 tp -64.08 -46.05 86.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.297 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.12 -45.17 86.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.205 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.717 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -56.99 -47.2 81.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.367 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' HD23 ' A' ' 45' ' ' LEU . 13.3 mt -59.57 -52.21 66.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.16 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 38' ' ' LEU . 23.6 t -58.01 -39.61 72.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.272 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.454 ' CG ' ' HG3' ' A' ' 52' ' ' PRO . 23.8 t80 -58.63 -45.27 89.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.21 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -35.61 80.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.947 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.419 ' HG ' ' CE1' ' A' ' 106' ' ' PHE . 4.4 mm? -77.97 -40.77 38.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.919 0.39 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -137.43 69.94 53.88 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.772 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.5 -25.82 34.82 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.554 2.17 . . . . 0.0 112.256 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.17 -4.74 90.12 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.796 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.889 ' O ' HD22 ' A' ' 50' ' ' LEU . 8.2 mt -136.33 31.74 2.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.809 0.304 . . . . 0.0 111.174 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.889 HD22 ' O ' ' A' ' 49' ' ' LEU . 2.1 mm? -141.99 161.53 37.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.967 0.413 . . . . 0.0 111.246 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -146.79 64.98 9.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.297 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.454 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 14.7 Cg_endo -56.44 -49.76 14.01 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.955 2.437 . . . . 0.0 112.655 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.4 m -53.91 -29.85 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.211 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.846 ' O ' HD13 ' A' ' 58' ' ' LEU . 2.7 tt0 -71.62 -50.38 31.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.348 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 3.7 mm? -84.47 -9.7 58.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.921 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -60.48 -37.32 80.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.58 -26.56 3.08 Favored Glycine 0 N--CA 1.454 -0.135 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.864 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.846 HD13 ' O ' ' A' ' 54' ' ' GLU . 2.2 mp -50.35 -35.3 27.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 0.0 111.354 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.48 150.17 6.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.727 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.715 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -77.39 -57.98 3.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.739 0.304 . . . . 0.0 111.06 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.493 HD23 HG21 ' A' ' 87' ' ' VAL . 89.5 mt -58.57 -37.69 76.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -41.68 83.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.97 -42.49 97.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.2 m -66.84 -50.67 61.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.55 96.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.028 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.669 ' O ' HG12 ' A' ' 70' ' ' VAL . 22.0 t90 -66.97 -41.07 87.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.425 ' HA ' HG12 ' A' ' 70' ' ' VAL . . . -67.61 -39.21 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.205 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.03 -43.54 92.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.018 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -68.38 -48.22 65.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 66' ' ' TRP . 12.1 p -68.35 -40.69 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.026 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.41 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -55.47 -44.85 76.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.051 0.453 . . . . 0.0 110.335 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.486 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 0.3 OUTLIER -69.85 -37.5 76.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.432 179.3 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -69.87 -41.04 75.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.305 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.03 -42.27 21.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.126 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.2 mp -100.78 -44.16 5.88 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 110.0 15.17 12.15 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.642 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.419 HG23 ' CD2' ' A' ' 101' ' ' HIS . 20.5 mt -86.06 115.15 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 111.064 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 m -74.08 129.53 84.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.07 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.91 138.51 77.88 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.509 2.139 . . . . 0.0 112.33 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.1 t -116.65 -19.9 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.531 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 82' ' ' SER . 20.4 t -131.69 159.5 43.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.772 0.32 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.776 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -84.0 157.96 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.893 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.62 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -65.1 -43.6 91.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -55.71 -46.35 77.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.033 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.71 91.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 82' ' ' SER . 29.7 t -69.16 -51.03 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 83' ' ' ALA . 24.8 t -62.57 -34.91 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.177 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.65 -13.44 51.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.512 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 56.73 33.58 63.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.523 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.12 38.74 1.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.359 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -164.02 74.16 1.71 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -61.94 -42.73 28.85 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.517 2.144 . . . . 0.0 112.338 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.53 -41.22 89.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.48 -39.63 60.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.535 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.449 ' O ' HD13 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -59.98 -42.41 94.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.537 HG23 HD13 ' A' ' 9' ' ' LEU . 15.2 mt -67.55 -41.11 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.67 85.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.44 ' CE2' ' CE1' ' A' ' 102' ' ' PHE . 2.9 t80 -65.44 -41.81 93.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.822 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.572 HD11 ' SG ' ' A' ' 13' ' ' CYS . 4.8 tp -58.78 -32.98 69.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.037 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.6 t -61.88 -45.77 92.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.419 ' CD2' HG23 ' A' ' 77' ' ' ILE . 1.8 t-80 -62.44 -45.26 93.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.44 ' CE1' ' CE2' ' A' ' 98' ' ' TYR . 4.9 m-85 -66.64 -45.49 78.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.426 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 0.8 OUTLIER -64.13 -51.25 64.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -29.41 70.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.03 -37.87 45.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.281 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.419 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 12.2 m-85 -80.65 -36.61 32.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.157 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -58.49 -35.99 73.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.014 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.6 m -64.89 -31.14 72.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.9 tpp . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.901 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 3.5 ttm . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.841 0.353 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 135.43 -172.44 22.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -158.97 105.01 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.31 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -61.17 161.15 9.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 1.6 t60 60.64 -171.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' HIS . . . . . 0.419 ' CE1' ' HA3' ' A' ' 1' ' ' GLY . 27.2 t-80 63.48 139.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -137.08 -63.89 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -128.36 161.82 28.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.2 mtm 60.51 95.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' HA3' ' CE1' ' A' ' -3' ' ' HIS . . . -169.75 35.38 0.18 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.435 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -133.27 -46.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.352 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.47 -30.36 18.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.18 -27.38 40.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.8 p -84.24 -43.76 14.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.38 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -63.44 -32.93 74.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.72 -46.92 85.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -66.49 -31.57 72.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.99 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tp -66.43 -48.48 69.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -34.82 76.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -64.4 -40.8 96.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.428 ' CH2' ' HA ' ' A' ' 103' ' ' HIS . 78.0 t90 -67.75 -42.53 81.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.039 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.69 -45.38 93.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -62.16 -40.58 96.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.002 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -66.25 -45.74 79.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.799 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -67.4 -29.27 68.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.712 HG23 ' CB ' ' A' ' 40' ' ' ALA . 58.7 m -88.3 7.5 31.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.346 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.9 129.95 34.79 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.801 0.334 . . . . 0.0 111.079 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.67 -24.8 1.65 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.601 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.46 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 11.9 m-85 -89.75 121.34 69.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.473 0.178 . . . . 0.0 110.763 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 17.3 Cg_exo -67.03 62.26 0.62 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.638 2.225 . . . . 0.0 112.618 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.93 38.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.446 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.604 HG23 HD12 ' A' ' 36' ' ' LEU . 12.6 p -121.85 120.68 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.966 0.412 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 44.7 m170 -110.62 107.86 17.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.6 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.513 HG21 HG21 ' A' ' 17' ' ' THR . 21.3 t -113.13 90.77 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.486 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.11 20.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.034 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -138.52 142.03 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.677 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.1 mt -95.07 37.12 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 t -167.3 -76.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.015 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.6 t -58.37 -21.4 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.307 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 t -68.13 -24.59 65.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.658 ' HH2' HD11 ' A' ' 99' ' ' LEU . 3.4 m95 -107.84 16.62 23.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.271 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.847 ' HA ' HG13 ' A' ' 87' ' ' VAL . . . -55.38 -60.27 3.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.761 0.315 . . . . 0.0 111.092 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' OD2' HD23 ' A' ' 36' ' ' LEU . 31.7 p30 -86.47 5.99 32.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.206 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 39' ' ' CYS . . . 73.85 28.96 63.85 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.604 HD12 HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -69.34 -44.48 71.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.815 0.34 . . . . 0.0 111.195 -179.848 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.452 ' HB3' ' CD2' ' A' ' 32' ' ' TRP . . . -68.85 -47.09 66.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.785 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.642 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.1 mt -61.83 -46.66 88.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.395 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -71.62 -38.29 70.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.841 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.712 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -58.31 -38.39 77.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.805 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 37' ' ' ALA . 5.6 mt -69.94 -51.33 33.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.763 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 38' ' ' LEU . 32.6 t -59.03 -44.39 91.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.065 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.417 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 91.3 t80 -59.3 -37.92 78.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.982 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -41.18 99.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.666 HD23 ' CZ ' ' A' ' 106' ' ' PHE . 2.8 mm? -75.46 -37.4 60.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -140.81 77.72 21.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 48.7 Cg_endo -68.77 -16.14 41.43 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.607 2.204 . . . . 0.0 112.37 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.88 -20.08 51.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.776 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.548 ' O ' HD22 ' A' ' 50' ' ' LEU . 25.4 mt -116.17 28.15 8.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 0.0 111.24 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.548 HD22 ' O ' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -142.99 165.83 26.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.994 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -152.8 63.56 4.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.697 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -56.2 -30.43 79.81 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.874 2.383 . . . . 0.0 112.508 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.9 t -59.6 -42.46 92.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.941 ' O ' HD12 ' A' ' 58' ' ' LEU . 6.8 mt-10 -71.71 -50.44 30.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.388 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.8 HD12 ' HA ' ' A' ' 63' ' ' ALA . 3.5 mm? -68.81 -10.26 55.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.731 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.513 ' CG ' HD21 ' A' ' 36' ' ' LEU . 1.3 tm0? -64.23 -39.99 95.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.744 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.79 -11.41 11.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.979 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.941 HD12 ' O ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -57.44 -28.47 63.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.705 0.288 . . . . 0.0 110.677 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.69 169.72 13.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.71 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.76 -63.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 111.002 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.483 HD21 ' HG2' ' A' ' 84' ' ' GLN . 2.7 mm? -58.79 -37.57 76.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.3 -45.69 83.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.8 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -63.8 -43.64 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.585 HG21 ' HA ' ' A' ' 83' ' ' ALA . 2.8 m -67.34 -49.82 62.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.7 98.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.265 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.56 ' O ' HG22 ' A' ' 70' ' ' VAL . 5.5 t90 -67.06 -49.94 63.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.8 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.401 ' HA ' HG22 ' A' ' 70' ' ' VAL . . . -61.98 -38.61 89.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.475 HD22 ' HB3' ' A' ' 79' ' ' PRO . 17.8 mt -66.51 -39.11 88.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -48.41 54.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.981 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 66' ' ' TRP . 30.3 m -68.46 -46.1 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.022 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.497 ' N ' HG23 ' A' ' 70' ' ' VAL . . . -55.25 -44.35 75.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.127 0.489 . . . . 0.0 110.277 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -69.56 -37.22 76.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.366 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -69.75 -41.14 75.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.411 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -80.85 -42.41 21.59 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.5 -34.95 15.37 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.76 29.68 12.94 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.299 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.3 mt -109.74 121.56 62.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.347 . . . . 0.0 111.093 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 m -76.53 124.13 87.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.475 ' HB3' HD22 ' A' ' 68' ' ' LEU . 51.9 Cg_exo -54.72 140.14 77.05 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.499 2.132 . . . . 0.0 112.228 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.591 ' O ' HG12 ' A' ' 80' ' ' VAL . 21.6 t -115.73 8.15 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.447 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.7 p -149.07 146.22 17.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.826 0.346 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.525 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.9 OUTLIER -75.71 148.17 38.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.585 ' HA ' HG21 ' A' ' 64' ' ' THR . . . -58.99 -43.55 91.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.483 ' HG2' HD21 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -55.49 -43.67 75.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.069 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -62.85 -39.39 94.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.051 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.546 HG13 ' CD2' ' A' ' 95' ' ' LEU . 38.2 t -63.93 -46.88 92.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.297 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.847 HG13 ' HA ' ' A' ' 33' ' ' ALA . 33.1 t -73.44 -37.88 51.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.453 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.96 -13.48 53.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.642 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.37 35.76 73.27 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.422 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.7 p -84.89 -25.6 27.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.712 0.292 . . . . 0.0 111.163 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.509 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 1.8 m-20 -117.39 80.47 12.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.994 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.61 -43.02 48.47 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.531 2.154 . . . . 0.0 112.098 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -36.32 76.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.98 -41.17 88.27 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.525 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 99' ' ' LEU . 1.7 mt -61.81 -43.26 99.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.309 . . . . 0.0 110.931 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.92 -41.2 84.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.54 77.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.301 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.454 ' CE1' ' HA ' ' A' ' 79' ' ' PRO . 1.3 t80 -69.16 -39.92 78.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.658 HD11 ' HH2' ' A' ' 32' ' ' TRP . 3.6 mm? -62.37 -32.44 73.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.989 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -38.16 86.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -69.48 -44.95 70.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.003 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.67 -34.38 75.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.428 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 64.5 t-80 -62.06 -42.8 99.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.1 p -63.74 -41.18 98.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.19 90.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.666 ' CZ ' HD23 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.8 -37.87 87.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -59.7 -30.57 68.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 m -98.46 -70.94 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 1.9 mmt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.766 0.317 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -147.84 -154.56 6.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.494 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -131.26 99.8 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -69.49 169.8 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -145.73 97.45 2.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.777 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -102.49 158.03 16.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -163.77 133.37 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -127.48 -66.14 0.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.451 ' HE2' ' HB3' ' A' ' 3' ' ' ALA . 5.6 mmt -99.03 140.89 32.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 152.5 -47.32 0.56 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.44 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -94.19 -37.61 11.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.829 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.451 ' HB3' ' HE2' ' A' ' 0' ' ' MET . . . -75.21 -32.99 61.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.91 -39.48 94.99 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -82.59 -35.42 27.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -61.68 -43.26 99.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.67 -44.73 95.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.24 -39.94 96.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.2 mt -59.88 -41.05 90.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.738 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.709 HD21 ' HG ' ' A' ' 28' ' ' LEU . 3.0 mm? -63.49 -40.95 98.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.732 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -59.72 -41.14 90.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.815 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -67.77 -41.72 82.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.054 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 59.9 m -63.99 -45.65 88.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.259 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.47 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 3.8 pt20 -62.01 -35.08 77.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.059 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.18 -45.77 79.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.701 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -74.31 -27.95 60.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.899 HG22 ' HB3' ' A' ' 40' ' ' ALA . 33.2 p -89.02 7.48 34.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.384 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.96 125.41 30.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.772 0.32 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.77 -25.42 2.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.618 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.851 ' O ' HG12 ' A' ' 23' ' ' VAL . 6.7 m-85 -90.9 121.51 67.95 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.489 0.185 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.99 98.49 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.426 2.084 . . . . 0.0 112.391 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.67 -8.08 9.45 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.717 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.851 HG12 ' O ' ' A' ' 20' ' ' TYR . 11.4 p -78.32 120.69 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 111.142 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -132.45 64.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.5 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.656 HG21 HG21 ' A' ' 17' ' ' THR . 21.6 t -67.41 93.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.345 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.485 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -147.42 20.68 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.688 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -138.44 143.49 39.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.621 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.709 ' HG ' HD21 ' A' ' 10' ' ' LEU . 8.4 mt -97.07 38.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.02 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -161.27 -76.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.276 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.3 t -61.14 -43.38 98.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.406 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.89 -25.48 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.453 -179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.828 ' CH2' HD21 ' A' ' 99' ' ' LEU . 18.5 m95 -101.63 -0.91 33.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.625 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.577 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -54.1 -60.21 3.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.741 0.305 . . . . 0.0 111.318 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.829 ' CG ' HD23 ' A' ' 36' ' ' LEU . 24.4 p30 -79.46 -3.62 47.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.219 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.85 33.5 60.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.626 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.91 HD21 ' HG2' ' A' ' 56' ' ' GLN . 1.3 mm? -75.05 -42.86 56.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.659 0.266 . . . . 0.0 111.232 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.35 -47.49 83.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 0.0 111.21 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 42' ' ' VAL . 16.3 mt -66.06 -46.05 79.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.704 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.415 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 4.9 m -61.56 -46.23 90.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.021 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.899 ' HB3' HG22 ' A' ' 17' ' ' THR . . . -55.2 -40.56 70.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.04 -52.52 62.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 38' ' ' LEU . 14.8 t -59.18 -49.62 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.25 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.417 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 68.8 t80 -55.41 -38.01 68.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.095 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -42.44 99.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.797 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.618 HD12 ' HG2' ' A' ' 109' ' ' MET . 3.9 mm? -74.12 -34.71 64.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -151.21 80.93 6.3 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.774 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 56.7 Cg_endo -70.49 -37.3 7.59 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.515 2.143 . . . . 0.0 112.471 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.68 -34.53 89.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.852 ' O ' HD22 ' A' ' 50' ' ' LEU . 3.0 mm? -94.57 20.94 7.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.52 0.2 . . . . 0.0 111.209 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.852 HD22 ' O ' ' A' ' 49' ' ' LEU . 1.2 mm? -142.95 168.39 19.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.008 0.432 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 20.2 mt-10 -161.19 48.11 0.23 Allowed Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.612 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 20.5 Cg_endo -60.19 -16.86 42.71 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.695 2.263 . . . . 0.0 112.694 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.9 m -54.94 -42.2 72.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.502 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.7 -50.13 33.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.094 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' A' ' 63' ' ' ALA . 1.8 mt -71.88 -9.79 58.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.793 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.91 ' HG2' HD21 ' A' ' 36' ' ' LEU . 1.7 tt0 -60.49 -31.21 70.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 111.19 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.7 3.94 5.4 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.922 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.34 -27.07 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 111.023 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.85 140.49 3.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.53 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.577 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -74.23 -59.8 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 111.043 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.785 ' HG ' HG21 ' A' ' 87' ' ' VAL . 5.8 mt -60.76 -37.83 83.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -62.46 -46.82 86.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . . . -65.55 -42.09 92.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -50.73 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.052 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.13 -43.53 87.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.764 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -66.87 -48.0 70.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.91 -46.58 90.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.37 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.84 -46.13 86.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -64.36 -48.18 76.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.209 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 66' ' ' TRP . 38.5 t -68.39 -38.48 79.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.23 -46.45 75.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 110.764 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.475 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 13.8 pt-20 -70.19 -37.23 75.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.566 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.37 -41.35 76.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.338 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -42.47 20.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.986 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.4 -53.57 3.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 110.64 26.0 4.96 Favored Glycine 0 CA--C 1.517 0.158 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.281 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.2 mm -82.77 130.53 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.728 0.299 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.1 m -74.07 115.07 39.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.779 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.29 149.23 74.68 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.542 2.161 . . . . 0.0 112.278 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 80' ' ' VAL . 15.8 t -141.55 17.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.301 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.3 m -149.75 160.44 4.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.842 0.353 . . . . 0.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.876 ' O ' HG23 ' A' ' 86' ' ' VAL . 29.0 t -112.43 150.37 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.788 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.67 ' HB1' HD23 ' A' ' 61' ' ' LEU . . . -59.74 -43.5 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.167 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.31 -44.76 80.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.613 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.5 -38.36 80.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 82' ' ' SER . 25.8 t -66.66 -51.08 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.785 HG21 ' HG ' ' A' ' 61' ' ' LEU . 25.4 t -62.74 -31.19 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.205 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.21 -13.54 49.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.576 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.1 32.14 66.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.57 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.45 41.39 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.613 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -152.49 61.9 4.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.08 -42.8 27.59 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.609 2.206 . . . . 0.0 112.209 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.4 mt -58.55 -40.25 82.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.32 -37.4 90.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.371 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.414 ' O ' HD23 ' A' ' 99' ' ' LEU . 5.8 mp -60.82 -42.15 97.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.716 0.293 . . . . 0.0 110.786 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.6 mm -66.78 -44.27 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.067 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.76 90.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -68.94 -47.72 65.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.828 HD21 ' CH2' ' A' ' 32' ' ' TRP . 2.9 mm? -59.81 -34.06 72.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.827 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.1 t -63.03 -36.9 85.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.87 -39.31 61.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.766 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.408 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -67.46 -43.29 81.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.764 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -60.89 -48.2 82.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 m -57.94 -43.69 86.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.66 -37.37 73.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.439 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.67 -27.94 68.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -53.21 60.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.0 t -83.29 -31.94 26.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.618 ' HG2' HD12 ' A' ' 45' ' ' LEU . 1.7 tpt . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.86 0.362 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -60.92 146.35 47.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -70.59 139.16 51.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -69.83 146.15 51.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -85.33 140.97 30.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -80.47 -177.23 6.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 61.31 88.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 76.81 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.9 ptm -101.66 100.59 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 150.17 -47.65 0.6 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.565 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -85.47 -56.36 3.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.341 . . . . 0.0 111.068 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.36 -29.97 69.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.05 -26.81 74.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.613 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -84.64 -36.4 22.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.956 0.408 . . . . 0.0 111.012 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.538 ' OE1' HD13 ' A' ' 28' ' ' LEU . 17.0 mt-30 -63.51 -32.73 74.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.193 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.56 -46.9 86.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.309 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 6.9 pt-20 -67.86 -31.74 71.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.989 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 17.6 tp -72.02 -44.8 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.067 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 26' ' ' SER . 5.0 tt -63.5 -45.91 88.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.16 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -60.82 -39.88 90.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.063 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.443 ' CD2' ' CD2' ' A' ' 103' ' ' HIS . 60.9 t90 -61.98 -40.01 94.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.5 m -69.13 -45.55 69.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -36.8 84.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -66.28 -45.67 79.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.722 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -69.71 -30.6 68.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 40' ' ' ALA . 10.3 m -92.81 7.51 43.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.492 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.99 125.36 29.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.74 0.305 . . . . 0.0 111.028 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.3 -38.52 1.76 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.53 ' CE1' ' HB1' ' A' ' 40' ' ' ALA . 62.2 m-85 -67.51 127.15 93.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.529 0.204 . . . . 0.0 110.773 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.99 110.33 2.9 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.429 2.086 . . . . 0.0 112.473 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.44 -25.05 16.33 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.404 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.592 ' CG2' HD12 ' A' ' 36' ' ' LEU . 16.2 t -79.16 120.67 30.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 0.0 111.148 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -127.68 83.81 2.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.785 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.607 ' CG2' HG21 ' A' ' 17' ' ' THR . 21.7 t -77.31 103.73 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.277 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.441 ' HA ' HD21 ' A' ' 10' ' ' LEU . 5.9 m -151.06 22.85 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.956 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -138.13 147.81 44.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.538 HD13 ' OE1' ' A' ' 6' ' ' GLN . 1.2 mt -97.15 37.91 1.29 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t -174.88 -77.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.32 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.1 m -54.05 -28.8 41.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.581 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -27.04 67.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.085 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.617 ' CH2' HD21 ' A' ' 99' ' ' LEU . 29.1 m95 -96.01 13.27 27.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.545 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.64 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -57.91 -55.82 29.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.858 ' CG ' HD23 ' A' ' 36' ' ' LEU . 14.4 p30 -87.68 6.97 32.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.274 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.86 33.56 87.35 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.701 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.914 HD21 ' HG2' ' A' ' 56' ' ' GLN . 1.9 mm? -74.84 -41.53 59.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 111.276 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.414 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -62.26 -47.27 85.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.244 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.3 tp -68.27 -42.08 80.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.739 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 3.1 m -64.03 -47.39 80.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.735 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -55.66 -42.22 74.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.223 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 38' ' ' LEU . 11.4 mt -60.69 -52.36 65.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 38' ' ' LEU . 18.0 t -60.99 -45.68 98.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.237 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -55.09 -38.04 67.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -66.84 -42.01 86.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.65 HD23 ' CZ ' ' A' ' 106' ' ' PHE . 3.8 mm? -78.26 -31.46 49.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.246 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -144.67 68.62 14.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.017 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.82 -27.55 21.3 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.535 2.157 . . . . 0.0 112.136 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.27 -4.89 89.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.746 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.6 mt -129.56 26.29 5.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.814 0.307 . . . . 0.0 111.207 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.53 HD13 HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -147.6 154.47 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.994 0.426 . . . . 0.0 111.008 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 2.3 mm-40 -141.44 47.22 0.97 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.781 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 18.8 Cg_endo -58.91 -17.36 36.67 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.611 2.207 . . . . 0.0 112.714 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -57.17 -44.27 83.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.982 0.42 . . . . 0.0 110.62 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -71.68 -50.12 33.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.899 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 51' ' ' GLU . 3.3 mp -70.29 -9.9 57.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.721 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.914 ' HG2' HD21 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -60.47 -33.63 72.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.736 0.303 . . . . 0.0 111.106 -179.497 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.6 4.73 6.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.753 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -27.28 24.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.0 125.14 0.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.655 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -60.31 -59.46 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.046 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.04 -37.64 85.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.79 -45.87 92.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.9 95.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.217 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.404 ' HB ' ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -67.2 -50.68 59.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.992 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.44 97.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.656 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -66.89 -40.12 87.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.012 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.54 -39.63 73.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.32 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 79' ' ' PRO . 0.5 OUTLIER -63.88 -41.02 97.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.201 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.495 ' HE3' ' ND2' ' A' ' 73' ' ' ASN . 0.1 OUTLIER -70.86 -48.46 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.331 -179.642 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 66' ' ' TRP . 32.3 m -68.28 -44.94 83.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.451 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.479 ' N ' HG23 ' A' ' 70' ' ' VAL . . . -55.32 -46.09 76.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.974 0.416 . . . . 0.0 110.393 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 1.3 tt0 -69.86 -37.57 76.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.358 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.495 ' ND2' ' HE3' ' A' ' 69' ' ' LYS . 1.1 m-80 -68.6 -41.26 79.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.502 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -42.39 21.27 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.66 -40.34 8.65 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 96.77 26.56 10.45 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.429 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.9 tt -81.88 127.78 39.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.822 0.344 . . . . 0.0 111.199 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 t -74.14 115.13 39.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.415 ' HB3' HD21 ' A' ' 68' ' ' LEU . 50.2 Cg_exo -53.58 141.03 64.49 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.408 2.072 . . . . 0.0 112.339 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.82 -13.98 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.504 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.449 HG11 ' HA3' ' A' ' 94' ' ' GLY . 10.7 m -147.07 160.48 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 111.062 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.676 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.3 m -86.27 158.98 19.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -64.34 -43.76 93.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -57.27 -41.62 80.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.57 96.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 82' ' ' SER . 28.3 t -64.24 -51.01 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 33' ' ' ALA . 27.8 t -62.26 -31.37 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.256 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.74 -13.6 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.618 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.49 36.75 64.69 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.528 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.93 30.89 6.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 0.0 110.869 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -150.53 64.45 6.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -57.07 -42.89 58.95 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.64 2.227 . . . . 0.0 112.192 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.32 -36.89 85.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.449 ' HA3' HG11 ' A' ' 81' ' ' VAL . . . -71.51 -39.59 60.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.614 ' O ' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -60.61 -43.2 97.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.948 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.9 mt -67.76 -41.22 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.015 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.51 92.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.92 -41.99 86.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.764 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.617 HD21 ' CH2' ' A' ' 32' ' ' TRP . 3.5 mm? -60.8 -33.88 73.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.822 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.6 p -60.12 -36.96 78.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.5 -48.03 43.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -32.78 73.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.715 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.443 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 5.6 t-80 -60.69 -50.56 72.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.998 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -34.83 78.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.037 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.98 -44.49 84.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.043 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.65 ' CZ ' HD23 ' A' ' 45' ' ' LEU . 3.3 m-85 -66.0 -33.45 75.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -64.64 -31.48 72.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.7 p -106.49 30.89 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 ttt . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.909 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 3.1 mtt . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.861 0.362 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -152.54 131.3 3.32 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -111.71 156.2 22.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -136.65 -47.29 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -87.09 -31.7 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 60.72 164.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 54.2 t60 60.67 32.44 20.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -110.62 156.12 21.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.8 ttt -166.34 158.32 13.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 100.37 -25.75 27.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.592 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -96.83 -33.42 11.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.68 -29.87 22.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.074 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.18 -27.97 59.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.614 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -79.05 -30.82 44.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.884 0.373 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -59.62 -44.5 93.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -64.18 -46.76 82.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.36 -40.44 97.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.446 ' HB3' HD22 ' A' ' 99' ' ' LEU . 48.8 mt -66.54 -39.03 88.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.32 -45.5 91.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -59.8 -44.39 94.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.018 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -67.52 -36.74 81.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.51 -45.45 75.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.291 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 15' ' ' GLU . 5.1 pt20 -65.73 -35.42 80.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.152 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 1.4 tp10 -66.32 -45.73 79.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.379 . . . . 0.0 110.743 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.593 ' HB3' HD23 ' A' ' 41' ' ' LEU . 29.5 mm100 -65.38 -31.93 73.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.044 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.835 HG23 ' CB ' ' A' ' 40' ' ' ALA . 31.1 m -91.52 7.43 41.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.538 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.96 125.44 32.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.19 -15.96 2.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.777 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.401 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . 11.2 m-85 -94.65 121.69 62.5 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.621 0.21 . . . . 0.0 110.752 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.64 60.98 1.65 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.572 2.181 . . . . 0.0 112.739 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.91 37.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.958 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.518 ' CG2' HD12 ' A' ' 36' ' ' LEU . 24.5 t -140.54 120.95 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.249 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -117.32 119.24 34.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.665 HG21 ' CB ' ' A' ' 17' ' ' THR . 16.1 t -105.44 38.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.54 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t -96.43 19.89 11.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 111.12 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -138.15 138.06 38.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.24 36.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.133 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -164.19 -76.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 111.076 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -56.24 -27.22 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.388 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.424 ' OG ' ' CD1' ' A' ' 32' ' ' TRP . 4.1 p -68.38 -29.93 68.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.848 0.356 . . . . 0.0 111.042 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.539 ' CE2' HD21 ' A' ' 95' ' ' LEU . 7.5 m95 -98.07 4.76 49.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.398 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.604 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -51.79 -64.77 0.71 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.698 0.285 . . . . 0.0 111.308 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.852 ' CG ' HD23 ' A' ' 36' ' ' LEU . 18.5 p30 -79.42 -2.19 40.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.345 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.28 32.24 52.53 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.577 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.852 HD23 ' CG ' ' A' ' 34' ' ' ASP . 1.6 mm? -73.08 -41.57 63.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 111.029 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.36 -47.17 87.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.101 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.649 HD21 ' HE2' ' A' ' 98' ' ' TYR . 0.2 OUTLIER -63.77 -46.02 87.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -33.38 73.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.835 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -59.6 -43.28 93.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.986 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.593 HD23 ' HB3' ' A' ' 16' ' ' GLN . 3.3 mt -70.22 -52.56 22.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.253 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 38' ' ' LEU . 32.4 t -59.25 -48.0 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.017 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.449 ' CG ' ' HG3' ' A' ' 52' ' ' PRO . 90.0 t80 -56.55 -37.71 70.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.945 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -43.2 99.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.622 HD22 HD11 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -76.06 -42.47 47.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.699 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -144.17 81.66 11.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.513 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 63.0 Cg_endo -73.78 -35.24 4.63 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.582 2.188 . . . . 0.0 112.302 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.86 -20.95 70.97 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.358 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.3 mm? -91.63 -8.92 45.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.647 HD21 ' HB ' ' A' ' 70' ' ' VAL . 5.1 mp -148.62 131.79 16.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.92 0.39 . . . . 0.0 111.479 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.47 81.51 0.45 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.502 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 19.0 Cg_endo -57.91 -37.99 94.05 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.8 2.334 . . . . 0.0 112.723 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -54.06 -36.02 62.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.288 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.735 ' O ' HD13 ' A' ' 58' ' ' LEU . 6.7 tt0 -71.61 -50.22 32.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.534 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.461 HD11 ' CE3' ' A' ' 66' ' ' TRP . 5.8 mt -79.75 -9.57 59.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.983 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.824 ' CG ' HD21 ' A' ' 36' ' ' LEU . 1.5 tt0 -60.43 -34.94 74.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.722 0.296 . . . . 0.0 111.551 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.11 -23.05 3.06 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.915 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.735 HD13 ' O ' ' A' ' 54' ' ' GLU . 1.3 mp -55.07 -35.16 64.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 0.0 111.18 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.07 148.44 6.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.752 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -76.72 -56.11 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.431 HD23 ' C ' ' A' ' 61' ' ' LEU . 8.6 tt -58.59 -43.73 89.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -64.27 -41.1 97.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.9 -43.59 95.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -50.57 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.49 98.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.641 ' O ' HG23 ' A' ' 70' ' ' VAL . 7.4 t90 -66.83 -41.89 86.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.981 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.23 -39.95 74.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.317 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.14 -46.04 82.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.418 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.87 -48.61 73.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 111.299 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.647 ' HB ' HD21 ' A' ' 50' ' ' LEU . 30.0 t -68.7 -43.53 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.62 -46.24 77.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.927 0.394 . . . . 0.0 110.458 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 10.6 pt-20 -69.92 -37.31 75.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.556 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 4.9 m-80 -69.63 -41.67 75.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.431 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.31 -42.4 20.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.99 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.622 HD11 HD22 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -91.58 -42.43 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 100.56 25.0 8.92 Favored Glycine 0 CA--C 1.518 0.238 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.684 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.413 ' CG1' HD22 ' A' ' 75' ' ' LEU . 35.7 mm -91.52 125.77 44.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.806 0.336 . . . . 0.0 111.128 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m -74.1 123.31 89.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.19 142.94 77.16 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.481 2.121 . . . . 0.0 112.355 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.593 ' O ' HG12 ' A' ' 80' ' ' VAL . 21.5 t -131.61 4.78 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.663 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.7 m -149.77 150.63 13.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.815 0.34 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.496 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.3 m -86.89 147.64 25.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.418 ' O ' HG12 ' A' ' 87' ' ' VAL . . . -58.11 -43.66 87.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.221 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -59.16 -37.1 76.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.005 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.554 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.52 -45.27 72.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.158 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 82' ' ' SER . 21.4 t -65.03 -48.7 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.344 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 83' ' ' ALA . 12.4 p -61.35 -35.75 68.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.23 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.66 -13.38 39.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.487 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.33 34.6 85.56 Favored Glycine 0 C--N 1.33 0.201 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.4 m -107.46 30.99 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.72 0.295 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.554 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -148.6 70.24 10.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.07 -42.83 27.47 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.608 2.205 . . . . 0.0 112.276 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 93' ' ' LEU . 8.6 tp -59.85 -44.58 94.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.763 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.49 -32.55 84.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.324 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.539 HD21 ' CE2' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -64.55 -43.16 94.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.913 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.5 mm -64.91 -44.3 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.73 93.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.064 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.649 ' HE2' HD21 ' A' ' 38' ' ' LEU . 17.6 t80 -69.28 -46.45 67.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.446 HD22 ' HB3' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -59.7 -32.6 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -44.08 84.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -62.58 -47.9 81.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 1.0 OUTLIER -62.73 -34.05 76.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -66.23 -47.68 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.54 -41.97 92.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.02 92.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.606 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.82 -42.44 90.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -44.97 94.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.74 -51.75 60.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.518 ' SD ' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 95.04 -166.52 26.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 21.3 m80 60.8 155.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -135.91 -55.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -117.78 105.7 12.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.74 140.76 11.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -110.3 164.01 13.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 118.47 20.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.793 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 178.75 -33.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -89.52 21.89 26.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.932 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 m -105.52 -41.12 5.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.903 0.382 . . . . 0.0 110.681 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.03 -29.88 18.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.96 -23.36 78.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.569 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -41.15 84.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.899 0.381 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -63.59 -32.96 74.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -62.69 -46.81 86.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -67.29 -31.77 72.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.43 ' O ' HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -67.65 -45.69 74.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.787 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.28 -34.93 78.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -65.96 -38.52 88.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.958 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.428 ' CH2' ' HA ' ' A' ' 103' ' ' HIS . 77.2 t90 -66.33 -48.1 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.051 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.9 t -63.41 -45.52 90.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.033 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.64 ' HA ' HG22 ' A' ' 17' ' ' THR . 1.4 tt0 -67.85 -34.79 77.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.95 -45.54 85.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.6 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -65.74 -36.93 84.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.768 HG21 ' CG2' ' A' ' 25' ' ' VAL . 9.9 t -88.45 7.52 32.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.391 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.26 125.34 30.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.774 0.321 . . . . 0.0 111.046 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.81 -28.35 3.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.542 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.459 ' HH ' ' HD2' ' A' ' 43' ' ' TYR . 52.2 m-85 -76.43 133.08 71.56 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.508 0.194 . . . . 0.0 110.832 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.39 103.14 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.435 2.09 . . . . 0.0 112.362 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.1 24.01 5.89 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.966 HG22 HD13 ' A' ' 36' ' ' LEU . 20.3 t -129.84 120.64 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.023 0.44 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -135.54 77.42 1.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.799 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.768 ' CG2' HG21 ' A' ' 17' ' ' THR . 46.8 t -74.88 108.29 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.312 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.35 23.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 31' ' ' SER . 2.5 m-20 -138.17 154.38 49.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.719 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.618 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.3 mm? -97.83 37.73 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.025 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 t -175.72 -80.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.399 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.5 m -55.94 -24.01 35.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.561 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 0.5 OUTLIER -66.97 -31.03 71.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.123 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.497 ' HB2' HG12 ' A' ' 86' ' ' VAL . 6.5 m95 -103.11 20.18 18.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.248 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.751 ' HA ' HG13 ' A' ' 87' ' ' VAL . . . -57.15 -56.68 18.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.28 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 p30 -82.94 1.26 40.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.446 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.09 27.81 73.57 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.563 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.966 HD13 HG22 ' A' ' 23' ' ' VAL . 5.2 mt -75.05 -35.32 61.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.765 0.317 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.01 -47.17 85.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.059 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.754 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.3 tt -66.71 -44.03 82.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -36.5 81.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.812 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.79 -48.71 80.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 5.7 mt -61.18 -47.38 86.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.814 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 38' ' ' LEU . 24.6 t -57.92 -41.68 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.459 ' HD2' ' HH ' ' A' ' 20' ' ' TYR . 54.3 t80 -61.44 -37.86 85.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -40.25 96.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.499 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.1 mm? -84.82 -31.93 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.002 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.418 ' CG ' HG12 ' A' ' 42' ' ' VAL . 5.6 pt20 -140.78 70.35 30.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.789 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.01 -27.0 30.57 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.534 2.156 . . . . 0.0 112.304 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.57 -4.39 90.4 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.702 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.422 ' O ' HD22 ' A' ' 50' ' ' LEU . 13.9 mt -133.9 34.89 3.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.846 0.323 . . . . 0.0 111.183 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.439 HD13 ' H ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -149.72 160.18 43.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 111.122 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.439 ' H ' HD13 ' A' ' 50' ' ' LEU . 5.3 mm-40 -143.41 64.39 13.73 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.564 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.34 -36.79 94.49 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.779 2.319 . . . . 0.0 112.507 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.1 p -60.3 -40.24 89.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.929 0.395 . . . . 0.0 110.723 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.9 ' C ' HD12 ' A' ' 58' ' ' LEU . 2.1 tt0 -71.57 -50.37 31.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.035 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 63' ' ' ALA . 3.6 mm? -66.8 -13.1 61.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.38 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.733 ' CG ' HD11 ' A' ' 36' ' ' LEU . 4.5 tm0? -63.61 -39.96 95.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.783 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.75 -14.54 8.62 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.994 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.9 HD12 ' C ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -56.41 -27.94 57.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.672 0.272 . . . . 0.0 110.88 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.47 162.92 10.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.64 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -74.15 -66.57 0.7 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.918 0.39 . . . . 0.0 111.021 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.9 mp -59.54 -37.62 78.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.81 -44.42 96.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.663 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -63.78 -43.78 95.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -50.72 58.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.61 98.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.39 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.523 ' O ' HG12 ' A' ' 70' ' ' VAL . 5.6 t90 -66.95 -49.72 64.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.933 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.32 93.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.51 -45.0 85.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.239 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -63.86 -48.51 76.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.064 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 66' ' ' TRP . 12.1 p -68.42 -44.0 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.044 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.463 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -55.12 -45.41 75.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.045 0.45 . . . . 0.0 110.417 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.477 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 1.0 OUTLIER -69.89 -37.39 76.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.403 179.338 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -69.5 -41.21 76.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.44 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -42.38 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.65 -47.63 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 116.57 13.78 7.87 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.641 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.0 mm -83.7 106.07 13.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.64 0.257 . . . . 0.0 111.007 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.6 t -73.94 132.03 80.66 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.63 138.91 58.41 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.455 2.103 . . . . 0.0 112.366 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.14 -17.79 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.513 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.55 148.73 24.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 111.079 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.592 ' O ' HG23 ' A' ' 86' ' ' VAL . 50.5 m -75.77 148.73 38.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -58.2 -43.64 87.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -57.66 -39.2 76.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.621 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.48 -45.46 72.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.141 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 82' ' ' SER . 21.7 t -60.31 -51.04 77.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.294 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.751 HG13 ' HA ' ' A' ' 33' ' ' ALA . 21.8 t -67.89 -33.22 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.259 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.06 -13.36 53.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.598 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.49 31.83 67.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 p -106.05 31.35 5.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.98 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.621 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 5.6 t0 -154.66 67.94 5.54 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.04 -42.75 28.2 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.571 2.18 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.6 -44.12 89.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.99 -35.49 84.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.681 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.551 ' O ' HD23 ' A' ' 99' ' ' LEU . 4.7 tp -60.12 -43.23 95.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.3 mm -67.8 -46.95 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.2 79.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.424 ' OH ' HD11 ' A' ' 38' ' ' LEU . 14.0 t80 -68.1 -47.64 67.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.024 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 95' ' ' LEU . 3.7 mm? -58.16 -32.62 68.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.0 m -63.51 -36.84 85.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -74.65 -48.12 28.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.424 ' CE2' ' CZ ' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -62.83 -41.08 99.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.864 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.428 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 3.8 t60 -67.43 -44.23 79.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.9 m -66.63 -43.59 84.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.97 -44.41 85.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.19 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.499 ' CE2' HD23 ' A' ' 45' ' ' LEU . 4.0 m-85 -68.69 -28.86 67.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.06 -34.01 76.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.68 30.32 5.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.853 0.359 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 174.31 -139.19 4.81 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.96 164.55 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -100.99 -46.48 5.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 32.17 19.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -162.94 150.28 13.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.782 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -158.78 71.75 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -114.06 -30.05 6.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.6 179.53 4.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.414 ' O ' HG23 ' A' ' 5' ' ' THR . . . 108.24 -30.07 9.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.534 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.79 -34.39 19.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.58 -42.21 14.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.21 -23.82 71.68 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.617 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.2 OUTLIER -57.95 -58.77 6.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.347 . . . . 0.0 110.97 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.751 ' HA ' HD12 ' A' ' 9' ' ' LEU . 2.0 tt0 -63.62 -32.9 74.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -63.4 -46.82 84.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.305 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 2.7 pt-20 -62.52 -31.63 72.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.223 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 6' ' ' GLN . 31.3 mt -66.6 -48.83 68.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.53 -38.88 92.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -59.8 -41.45 91.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -67.77 -36.49 80.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.157 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.484 ' SG ' HD21 ' A' ' 99' ' ' LEU . 1.5 m -68.9 -45.48 70.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.406 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.537 ' HA ' HG22 ' A' ' 17' ' ' THR . 4.0 pt20 -67.29 -35.36 79.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.136 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 1.3 mt-10 -66.43 -45.68 79.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 111.011 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -65.29 -34.15 77.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.251 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.537 HG22 ' HA ' ' A' ' 14' ' ' GLN . 14.8 t -86.73 7.5 26.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.474 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.23 125.37 32.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 111.131 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.66 -22.58 2.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.694 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.514 ' CE1' ' HB1' ' A' ' 40' ' ' ALA . 42.2 m-85 -81.62 140.02 47.66 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.669 0.271 . . . . 0.0 110.809 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.32 59.96 3.21 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.668 2.246 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.62 38.51 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.257 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 23' ' ' VAL . 12.0 p -113.8 120.82 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 111.08 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -140.58 94.73 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.653 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.541 HG13 ' HB3' ' A' ' 31' ' ' SER . 21.5 t -113.79 109.08 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.221 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -150.12 23.0 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.984 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.16 162.02 35.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.858 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -108.8 43.38 1.26 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.025 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.0 m -166.39 -79.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.9 m -65.75 -35.09 79.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.949 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.541 ' HB3' HG13 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -54.94 -24.18 22.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.351 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -108.66 7.99 26.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.486 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.793 ' HA ' HG13 ' A' ' 87' ' ' VAL . . . -53.99 -60.81 2.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.632 0.253 . . . . 0.0 111.478 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.607 ' OD2' HD12 ' A' ' 36' ' ' LEU . 13.3 p30 -79.46 -2.83 43.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.445 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.42 35.99 92.06 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.574 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.607 HD12 ' OD2' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -67.17 -39.57 86.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.791 0.329 . . . . 0.0 111.133 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.58 -47.01 80.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.512 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.684 ' O ' HG23 ' A' ' 42' ' ' VAL . 3.7 mp -61.67 -46.09 91.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.156 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -67.22 -42.59 83.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.917 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.514 ' HB1' ' CE1' ' A' ' 20' ' ' TYR . . . -57.98 -47.36 83.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.97 -52.35 65.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 38' ' ' LEU . 26.0 t -58.47 -42.37 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 72.7 t80 -61.1 -37.88 84.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -40.36 97.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.831 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.518 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.3 mm? -78.97 -35.99 42.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -144.25 75.86 15.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.717 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.418 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 43.0 Cg_endo -67.88 -26.56 37.95 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.571 2.18 . . . . 0.0 112.484 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.03 -28.61 68.21 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.457 ' O ' HD22 ' A' ' 50' ' ' LEU . 1.7 mt -111.51 35.75 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.685 0.278 . . . . 0.0 111.205 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.457 HD22 ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -149.11 164.4 34.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.368 . . . . 0.0 111.005 179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -152.54 64.83 5.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.67 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.88 -26.06 72.4 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.717 2.278 . . . . 0.0 112.406 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -64.76 -41.46 95.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.656 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.876 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.5 mm-40 -71.55 -50.13 34.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.015 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.587 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 18.4 mt -64.98 -14.2 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.372 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.412 ' HG2' ' CD1' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -63.96 -40.04 95.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.888 -179.364 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.03 -9.21 16.31 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.373 -0.918 . . . . 0.0 113.014 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.876 HD12 ' O ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -57.34 -29.19 63.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 110.663 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 139.88 174.62 13.84 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.663 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.732 ' HB1' HG11 ' A' ' 87' ' ' VAL . . . -77.66 -63.09 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 111.165 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.53 HD21 ' HG2' ' A' ' 84' ' ' GLN . 0.1 OUTLIER -62.94 -37.56 87.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.78 -46.82 77.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -67.84 -43.91 78.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.149 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.534 HG22 HD12 ' A' ' 68' ' ' LEU . 19.6 m -67.44 -50.58 58.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.223 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.43 98.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.425 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.718 ' CZ3' HG21 ' A' ' 70' ' ' VAL . 27.0 t90 -66.91 -49.94 63.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.041 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.41 82.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.352 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.534 HD12 HG22 ' A' ' 64' ' ' THR . 0.2 OUTLIER -64.9 -40.34 94.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.292 -179.762 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -70.9 -48.47 53.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.242 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.718 HG21 ' CZ3' ' A' ' 66' ' ' TRP . 23.8 t -68.71 -46.75 79.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.154 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.427 ' HB2' HG21 ' A' ' 42' ' ' VAL . . . -55.3 -44.26 75.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.044 0.449 . . . . 0.0 110.257 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.415 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 2.1 tm-20 -69.78 -37.28 76.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.402 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -70.85 -41.4 71.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.643 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -81.16 -42.3 21.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 35.3 mt -93.18 -33.14 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 93.41 20.77 31.31 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.406 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.4 mt -92.27 116.34 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.803 0.335 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 2.5 t -74.16 136.93 75.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 78' ' ' THR . 51.1 Cg_exo -55.35 142.95 78.6 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.496 2.131 . . . . 0.0 112.385 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.655 HG11 ' HB1' ' A' ' 97' ' ' ALA . 20.3 t -113.87 -26.72 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.259 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 82' ' ' SER . 9.4 p -138.09 159.08 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.949 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.483 ' N ' HG22 ' A' ' 81' ' ' VAL . 1.4 t -75.52 154.48 36.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.78 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -65.09 -43.64 91.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.53 ' HG2' HD21 ' A' ' 61' ' ' LEU . 3.4 mm100 -60.43 -37.05 79.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.984 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.489 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.58 -46.32 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.443 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.676 HG23 HD11 ' A' ' 95' ' ' LEU . 9.1 p -70.42 -44.91 76.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.41 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.793 HG13 ' HA ' ' A' ' 33' ' ' ALA . 47.9 t -62.59 -38.11 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.42 53.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.476 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.72 31.34 80.58 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.35 31.1 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.666 0.27 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.489 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -161.39 77.24 2.32 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.918 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.97 -38.1 60.4 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.654 2.236 . . . . 0.0 112.228 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.3 -38.81 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.829 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.81 -38.8 56.3 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.676 HD11 HG23 ' A' ' 86' ' ' VAL . 3.6 mm? -60.04 -43.18 95.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.76 0.314 . . . . 0.0 110.939 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.645 HD11 ' OE1' ' A' ' 6' ' ' GLN . 59.2 mt -67.91 -41.39 84.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.959 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.655 ' HB1' HG11 ' A' ' 80' ' ' VAL . . . -58.81 -40.16 83.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.049 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -66.73 -46.58 75.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.484 HD21 ' SG ' ' A' ' 13' ' ' CYS . 4.5 mp -58.45 -38.63 77.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 53.1 m -60.19 -45.64 92.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.017 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -44.21 90.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.94 -41.45 82.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -65.86 -41.45 91.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.961 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 53.9 p -60.17 -43.85 95.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.16 -42.68 45.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.518 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.87 -31.18 71.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -64.76 -48.79 73.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -41.67 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.805 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 38.3 mtt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.84 0.353 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -98.32 -28.79 7.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.474 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -68.17 178.7 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -149.34 153.13 36.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 60.36 94.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.28 -14.55 59.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.301 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 69.96 -66.83 0.26 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -103.96 28.62 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.969 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 30.0 tpp -175.02 36.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.81 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -145.98 -72.28 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -67.35 -31.65 72.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.22 -40.07 53.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.95 -27.81 63.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 p -72.45 -22.28 61.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.746 0.308 . . . . 0.0 111.066 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -56.74 -32.89 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.148 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -62.75 -46.91 85.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.111 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.54 -31.64 67.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -68.37 -47.61 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -34.86 78.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.778 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -65.93 -38.0 87.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.414 ' CD2' ' CD2' ' A' ' 103' ' ' HIS . 42.4 t90 -67.66 -38.91 84.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.477 ' SG ' HD21 ' A' ' 99' ' ' LEU . 2.0 t -64.74 -45.43 86.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -67.42 -38.97 85.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.32 -45.71 79.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.516 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -66.62 -31.25 71.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.723 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.802 HG23 ' CB ' ' A' ' 40' ' ' ALA . 62.3 m -88.44 7.36 33.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.313 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.58 128.93 34.17 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.787 0.327 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.21 -24.31 2.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.622 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.453 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 34.6 m-85 -85.45 121.43 73.61 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.393 0.139 . . . . 0.0 110.739 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 16.7 Cg_exo -67.64 61.19 0.83 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.61 2.207 . . . . 0.0 112.698 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.86 40.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.769 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.435 HG22 HD22 ' A' ' 36' ' ' LEU . 40.8 t -140.54 120.84 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 111.078 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -122.62 127.67 49.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.773 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 t -121.02 98.34 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.332 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -152.47 23.95 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 31' ' ' SER . 1.6 m-20 -138.01 148.13 44.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.732 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.3 mm? -96.3 36.91 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.281 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 t -170.44 -80.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.81 0.338 . . . . 0.0 111.398 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -54.4 -25.85 27.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.527 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -66.11 -27.79 68.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.076 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.664 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 3.8 m95 -110.84 18.08 19.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.26 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.641 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -58.02 -56.3 23.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.697 0.284 . . . . 0.0 111.201 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.822 ' CG ' HD12 ' A' ' 36' ' ' LEU . 10.2 p30 -87.39 7.68 27.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.298 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.43 29.3 74.0 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.878 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.822 HD12 ' CG ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -75.09 -38.7 61.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 111.18 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.664 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -61.59 -47.4 85.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.281 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.632 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -65.61 -45.92 81.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -34.45 77.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.736 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.802 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -60.1 -43.72 95.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.47 HD23 ' CE2' ' A' ' 106' ' ' PHE . 2.6 mp -66.74 -52.28 46.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.658 HG12 ' CD1' ' A' ' 50' ' ' LEU . 11.8 t -58.82 -47.86 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.465 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 69.8 t80 -55.32 -37.99 68.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -43.0 99.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.774 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.46 -33.43 54.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.803 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.465 HE21 ' CD ' ' A' ' 74' ' ' GLU . 1.5 mm100 -151.14 81.44 6.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.504 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 55.4 Cg_endo -70.2 -36.97 8.71 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.476 2.117 . . . . 0.0 112.497 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.11 -29.23 74.35 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.92 24.02 5.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.575 0.226 . . . . 0.0 111.495 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.658 ' CD1' HG12 ' A' ' 42' ' ' VAL . 1.2 mp -153.97 176.42 12.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.408 . . . . 0.0 111.286 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -157.25 61.84 2.47 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.611 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.429 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 10.4 Cg_endo -53.47 -34.51 72.28 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.875 2.383 . . . . 0.0 112.409 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.8 p -55.69 -45.07 77.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.455 ' O ' HD13 ' A' ' 58' ' ' LEU . 7.5 mt-10 -71.62 -50.22 32.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.226 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.499 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 2.0 mt -67.72 -14.48 62.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.507 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.787 ' HG3' HD11 ' A' ' 36' ' ' LEU . 11.8 tt0 -60.74 -39.77 89.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.471 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.81 -17.62 5.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.796 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -54.07 -30.58 48.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.961 0.41 . . . . 0.0 110.906 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.46 156.42 7.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.567 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -76.49 -55.6 5.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.782 0.325 . . . . 0.0 111.033 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.24 -37.41 77.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -70.04 -45.22 67.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.037 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.8 -44.01 94.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.196 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.732 ' CG2' ' HB1' ' A' ' 83' ' ' ALA . 12.8 t -67.59 -47.52 69.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.444 ' N ' HG23 ' A' ' 64' ' ' THR . . . -66.37 -43.51 85.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.342 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.672 ' O ' HG22 ' A' ' 70' ' ' VAL . 19.6 t90 -66.9 -41.59 86.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.823 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HA ' HG22 ' A' ' 70' ' ' VAL . . . -70.46 -37.87 74.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 68' ' ' LEU . 11.6 mt -65.68 -40.89 92.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.048 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -70.47 -48.34 56.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.1 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 66' ' ' TRP . 28.8 m -68.25 -42.36 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.428 ' N ' HG23 ' A' ' 70' ' ' VAL . . . -55.59 -43.87 76.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.087 0.47 . . . . 0.0 110.241 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 29.1 tt0 -69.84 -37.34 76.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.415 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -71.0 -41.42 70.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.472 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.465 ' CD ' HE21 ' A' ' 46' ' ' GLN . 1.8 tm-20 -81.14 -42.35 21.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.022 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 75' ' ' LEU . 3.8 tt -91.14 -33.76 15.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -178.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 83.0 34.99 19.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.354 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.658 HD11 ' HB3' ' A' ' 101' ' ' HIS . 1.7 tt -111.11 128.98 67.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.858 0.361 . . . . 0.0 111.18 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 m -74.3 124.07 89.64 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.454 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 49.6 Cg_exo -55.64 155.0 23.12 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.412 2.075 . . . . 0.0 112.323 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 80' ' ' VAL . 21.4 t -126.27 -1.92 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.768 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 82' ' ' SER . 21.5 t -144.9 159.11 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.809 0.338 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.485 ' N ' HG12 ' A' ' 81' ' ' VAL . 2.2 m -84.4 158.01 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.732 ' HB1' ' CG2' ' A' ' 64' ' ' THR . . . -64.98 -43.58 92.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.327 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -33.33 75.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.072 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.36 -46.27 70.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.392 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 83' ' ' ALA . 16.0 m -64.42 -40.92 90.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.43 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 83' ' ' ALA . 63.1 t -69.86 -32.66 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.0 -13.52 38.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.553 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.12 31.36 68.83 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.556 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -98.64 31.95 2.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.3 75.62 3.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -62.08 -42.8 27.61 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.633 2.222 . . . . 0.0 112.211 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.3 -39.02 93.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.98 -44.26 91.98 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.97 -42.82 94.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.5 mt -67.63 -41.12 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.33 97.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.454 ' CE1' ' HA ' ' A' ' 79' ' ' PRO . 2.4 t80 -69.13 -40.01 78.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.477 HD21 ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -58.92 -41.24 86.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.2 t -60.39 -36.76 78.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.658 ' HB3' HD11 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -66.0 -42.51 89.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -62.71 -35.88 81.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.414 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 10.4 t-80 -64.26 -41.6 96.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.5 m -56.43 -41.31 76.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.02 -40.24 22.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.47 ' CE2' HD23 ' A' ' 41' ' ' LEU . 3.3 m-85 -65.76 -38.99 90.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -71.35 -46.6 60.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.42 -65.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.148 -0.929 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 33.1 mmt . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 147.98 150.04 5.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -72.67 66.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -114.87 108.89 17.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 7.6 m170 60.79 166.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.03 -169.2 1.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.86 130.1 42.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -67.38 108.57 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.5 ttt -148.67 118.94 7.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.825 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -164.94 -67.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -62.33 -42.71 99.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.57 17.68 12.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.34 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.07 -36.37 0.76 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.3 p -87.17 -31.37 20.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -63.6 -32.69 74.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.76 -46.86 86.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.119 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 4.6 pt-20 -65.59 -31.63 72.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.404 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -66.03 -46.02 79.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.733 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.99 -34.88 78.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -41.27 97.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -67.56 -36.87 81.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.11 -45.52 84.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.011 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.15 -36.51 81.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -45.51 79.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.546 ' HB3' HD23 ' A' ' 41' ' ' LEU . 1.1 mp0 -69.39 -30.73 68.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.731 ' HB ' HG21 ' A' ' 25' ' ' VAL . 13.7 m -94.24 7.56 44.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.512 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.67 129.42 34.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.874 0.368 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.73 -26.03 2.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.673 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.703 ' O ' HG12 ' A' ' 23' ' ' VAL . 19.2 m-85 -86.36 121.33 72.46 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.465 0.174 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.79 101.82 0.4 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.379 2.053 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.5 22.75 4.31 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.433 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 20' ' ' TYR . 12.6 p -111.02 120.37 61.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.053 0.454 . . . . 0.0 111.061 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -117.75 73.49 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.564 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.731 HG21 ' HB ' ' A' ' 17' ' ' THR . 21.7 t -72.6 94.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.419 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -151.25 20.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -138.4 141.64 39.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.56 36.85 1.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 t -165.63 -68.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -61.17 -37.15 81.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 62.5 m -55.07 -26.77 39.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.277 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.624 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 4.6 m95 -104.18 8.72 36.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.414 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.761 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -55.43 -58.7 6.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.71 0.29 . . . . 0.0 111.301 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.757 ' CG ' HD12 ' A' ' 36' ' ' LEU . 10.9 p30 -79.44 -3.35 46.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.335 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.92 26.0 63.32 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.744 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.816 HD11 ' CG ' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -75.08 -36.3 61.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.726 0.298 . . . . 0.0 111.046 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.624 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -63.9 -47.13 81.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.277 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 42' ' ' VAL . 4.4 tp -68.43 -46.09 70.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.717 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 57.8 m -66.25 -37.49 85.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.783 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.71 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -59.6 -44.78 93.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.973 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.546 HD23 ' HB3' ' A' ' 16' ' ' GLN . 16.9 mt -62.91 -52.36 63.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.756 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.675 HG12 HD21 ' A' ' 50' ' ' LEU . 11.8 t -59.89 -42.63 89.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.442 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 81.0 t80 -60.05 -37.82 80.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.66 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -41.47 99.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.549 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.565 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.3 mm? -75.59 -30.43 59.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.45 ' O ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -149.86 82.59 6.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.597 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.442 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 50.7 Cg_endo -69.41 -26.05 29.63 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.6 2.2 . . . . 0.0 112.596 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.11 -33.87 43.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.653 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.888 ' O ' HD22 ' A' ' 50' ' ' LEU . 13.9 mt -99.13 27.58 5.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.715 0.293 . . . . 0.0 111.255 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.888 HD22 ' O ' ' A' ' 49' ' ' LEU . 2.5 mm? -142.1 164.47 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 111.019 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -154.7 64.51 4.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.36 -46.19 29.58 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.854 2.369 . . . . 0.0 112.581 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.9 p -55.04 -30.9 60.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.202 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.824 ' O ' HD13 ' A' ' 58' ' ' LEU . 25.1 tt0 -71.5 -50.02 35.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.364 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.8 HD11 ' CE3' ' A' ' 66' ' ' TRP . 1.1 mt -84.2 -9.74 58.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.683 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.816 ' CG ' HD11 ' A' ' 36' ' ' LEU . 1.5 tm0? -60.33 -35.48 75.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.547 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -118.47 -25.14 2.98 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.033 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.824 HD13 ' O ' ' A' ' 54' ' ' GLU . 1.9 mp -52.98 -35.21 58.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 111.283 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.45 149.98 6.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.691 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.761 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -78.13 -55.15 5.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.085 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.57 -40.41 83.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.38 -35.38 73.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 55' ' ' LEU . . . -67.06 -43.73 81.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.513 ' HB ' ' HB1' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -65.26 -50.61 65.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.73 -43.41 90.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.8 ' CE3' HD11 ' A' ' 55' ' ' LEU . 1.6 t90 -66.79 -44.94 79.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.717 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -63.69 -39.58 94.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.271 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.01 -44.05 93.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.293 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -68.67 -48.41 64.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.349 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 66' ' ' TRP . 26.8 m -68.26 -40.66 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.298 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.12 78.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.975 0.417 . . . . 0.0 110.442 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.522 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 5.2 tm-20 -69.87 -37.43 76.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.567 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -69.52 -41.21 76.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.384 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.22 -42.32 20.95 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.17 -42.11 6.16 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 96.56 28.3 9.1 Favored Glycine 0 N--CA 1.454 -0.115 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.235 -179.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.858 HD11 ' HB3' ' A' ' 101' ' ' HIS . 0.5 OUTLIER -93.41 122.51 44.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 111.044 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.9 m -74.18 115.17 40.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.413 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 44.3 Cg_endo -68.26 122.35 9.38 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.473 2.115 . . . . 0.0 112.208 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.591 ' O ' HG12 ' A' ' 80' ' ' VAL . 14.0 t -102.52 19.29 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.424 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -149.75 147.97 15.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.828 0.347 . . . . 0.0 111.031 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.5 m -82.87 159.92 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.76 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -64.99 -43.55 92.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -63.52 -33.87 76.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.55 -46.29 69.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.255 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 87' ' ' VAL . 8.4 p -70.56 -41.47 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.186 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 83' ' ' ALA . 59.2 t -67.74 -36.41 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.968 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.58 -13.46 37.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.504 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.0 28.34 60.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.609 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 t -79.06 -32.47 44.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.775 0.322 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.437 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -107.52 78.17 0.66 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.04 -42.8 27.86 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.491 2.127 . . . . 0.0 112.223 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.3 mt -58.41 -41.15 84.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.838 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.04 -37.66 93.34 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.38 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -42.72 96.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.9 mm -65.24 -41.16 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.59 92.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.597 ' HE2' HD11 ' A' ' 38' ' ' LEU . 11.2 t80 -69.27 -38.69 78.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.81 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.442 HD21 ' HH2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -58.37 -38.57 77.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.841 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 t -60.41 -42.02 95.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.776 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.858 ' HB3' HD11 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -64.72 -41.9 95.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -43.28 78.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -62.79 -43.19 99.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.8 m -58.59 -33.13 69.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.43 -44.29 17.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.565 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.2 m-85 -66.84 -33.07 74.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.04 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tptt -73.98 -31.36 62.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 m -90.06 -33.23 16.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 46.2 mtm . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.903 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 8.9 ttm . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.752 0.31 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 71.51 175.67 23.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.49 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -157.68 76.86 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.817 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -158.77 77.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 179.01 6.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -70.58 -60.57 2.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -114.91 128.33 56.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -108.31 -51.49 2.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -90.1 167.75 12.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 132.43 -28.53 3.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.547 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.36 -36.57 11.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.75 -30.83 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.67 -50.46 30.64 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.41 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -60.16 -45.08 94.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.883 0.373 . . . . 0.0 110.925 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -32.87 74.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.051 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.44 -46.87 68.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.478 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -65.42 -31.67 72.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 111.097 -179.799 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 69.2 mt -67.13 -46.34 74.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.32 -34.8 78.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -65.99 -38.34 88.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -67.65 -39.22 84.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -69.48 -45.45 68.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -60.91 -38.88 87.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -66.34 -45.49 80.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.798 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -68.37 -28.04 66.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.76 HG23 ' CB ' ' A' ' 40' ' ' ALA . 8.0 m -91.21 3.59 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.505 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.31 134.44 34.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.912 0.387 . . . . 0.0 111.079 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.77 -24.4 3.02 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.695 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.47 ' CE1' ' HB1' ' A' ' 40' ' ' ALA . 18.9 m-85 -86.14 141.61 35.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.604 0.24 . . . . 0.0 110.969 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.33 62.77 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.592 2.195 . . . . 0.0 112.353 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.87 40.21 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.138 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.678 HG21 ' O ' ' A' ' 17' ' ' THR . 14.9 p -93.01 120.83 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.977 0.418 . . . . 0.0 111.274 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.89 74.48 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.369 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -99.17 90.48 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.591 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -147.08 21.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -138.1 148.59 45.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mp -102.07 40.2 1.37 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.102 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 t -174.0 -80.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.383 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -56.36 -22.14 29.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.449 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -30.67 71.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.164 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.621 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 6.4 m95 -95.54 13.54 25.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.484 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.731 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -56.55 -58.13 9.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.655 0.264 . . . . 0.0 111.281 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.835 ' CG ' HD12 ' A' ' 36' ' ' LEU . 11.4 p30 -79.42 -2.11 40.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.395 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.31 32.29 75.64 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.647 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.835 HD12 ' CG ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -74.94 -40.54 60.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.621 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -59.99 -47.26 86.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.356 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.603 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -66.84 -46.03 76.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.01 -42.08 97.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.023 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.76 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -57.66 -46.96 83.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.295 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 38' ' ' LEU . 3.7 mt -59.52 -52.41 65.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 38' ' ' LEU . 21.7 t -59.33 -43.29 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.448 ' CD1' ' HD2' ' A' ' 52' ' ' PRO . 72.2 t80 -59.37 -38.0 79.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.809 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -63.0 -41.97 99.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.709 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.447 HD23 ' CZ ' ' A' ' 106' ' ' PHE . 4.1 mm? -78.6 -36.38 44.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.693 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -145.55 78.86 11.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.494 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.439 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 56.6 Cg_endo -70.78 -40.24 3.89 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.575 2.183 . . . . 0.0 112.566 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.97 -30.83 70.8 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.41 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.554 ' O ' HG11 ' A' ' 70' ' ' VAL . 2.8 mm? -96.25 24.81 5.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.597 0.237 . . . . 0.0 111.305 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.584 ' CD1' HG12 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -152.35 173.09 15.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.935 0.398 . . . . 0.0 111.249 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -158.83 59.16 1.41 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.582 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.448 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 10.5 Cg_endo -53.11 -31.29 53.83 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.095 2.53 . . . . 0.0 112.553 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.91 -47.26 71.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.285 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 4.0 mt-10 -71.72 -50.22 32.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.461 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 4.7 mt -70.72 -9.77 57.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.005 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.761 ' HG3' HD11 ' A' ' 36' ' ' LEU . 12.5 tt0 -60.48 -39.81 89.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.7 0.286 . . . . 0.0 111.316 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.26 -14.12 5.58 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.837 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -60.34 -28.82 68.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.797 0.332 . . . . 0.0 110.805 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.02 151.36 6.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.915 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.731 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -76.46 -56.2 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.958 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.415 ' N ' HD22 ' A' ' 61' ' ' LEU . 3.5 mm? -60.81 -37.63 82.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -64.38 -45.29 88.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.74 -43.63 95.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.43 -45.23 76.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.164 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.36 -43.72 93.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.451 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.638 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -66.96 -50.02 63.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.382 . . . . 0.0 111.025 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.4 -40.23 95.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.264 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -45.52 88.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.192 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -66.91 -48.42 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.184 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 66' ' ' TRP . 24.7 t -68.48 -38.8 79.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.191 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.15 79.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 0.0 110.576 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.481 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 13.2 pt-20 -70.09 -37.16 75.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.511 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -69.83 -41.28 75.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.384 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -42.28 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.196 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.6 mt -96.99 -38.71 9.68 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 94.7 25.68 14.8 Favored Glycine 0 CA--C 1.517 0.188 0 C-N-CA 120.35 -0.928 . . . . 0.0 112.231 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.8 mm -92.28 125.41 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.7 m -74.08 128.68 85.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.26 143.73 51.55 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.424 2.083 . . . . 0.0 112.34 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 t -113.17 -22.48 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.335 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.2 m -145.45 153.05 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.08 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 86' ' ' VAL . 87.1 p -76.01 148.7 37.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.674 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -58.44 -43.54 88.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.112 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -39.85 69.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.86 74.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 82' ' ' SER . 21.4 t -61.57 -47.12 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.105 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 83' ' ' ALA . 35.5 t -61.25 -34.19 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.02 -13.54 47.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.529 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.44 36.23 75.97 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.447 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 m -104.8 36.05 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.953 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -161.84 63.72 1.63 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.95 -42.23 65.63 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.586 2.191 . . . . 0.0 112.231 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.16 -42.11 85.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.12 -36.91 93.85 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.275 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.455 ' HA ' HD13 ' A' ' 95' ' ' LEU . 3.7 mm? -61.48 -42.66 99.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.798 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.1 mm -64.13 -42.02 94.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.41 86.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.402 ' CE1' ' CE1' ' A' ' 102' ' ' PHE . 8.8 t80 -63.87 -48.15 77.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -39.04 78.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.0 m -60.89 -40.29 92.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -68.22 -45.44 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.402 ' CE1' ' CE1' ' A' ' 98' ' ' TYR . 2.3 m-85 -66.86 -38.14 85.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -60.02 -41.52 92.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 m -58.54 -43.87 89.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.61 -40.43 63.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.447 ' CZ ' HD23 ' A' ' 45' ' ' LEU . 3.4 m-85 -65.76 -31.29 72.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -37.38 83.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.822 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m -98.93 31.68 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.16 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.843 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 2.1 mtm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.783 0.325 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 164.63 62.23 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.546 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -174.85 4.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.896 0.379 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -142.92 114.51 8.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 53.0 p-80 -66.32 138.9 57.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -112.97 47.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -89.8 -50.01 6.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.43 34.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.53 113.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 115.9 12.85 8.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.78 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 m -124.51 -43.7 2.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.877 0.37 . . . . 0.0 110.706 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.91 -28.97 22.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.027 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.7 -27.26 61.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.421 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.57 -31.87 72.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.53 -33.13 74.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -47.06 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.324 -179.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -72.59 -31.61 65.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.586 ' CD2' HG23 ' A' ' 96' ' ' ILE . 12.8 tp -70.22 -46.85 63.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.502 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -63.37 -36.21 82.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -41.29 91.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.439 ' CZ2' ' HG3' ' A' ' 16' ' ' GLN . 74.1 t90 -67.65 -36.92 81.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.447 ' SG ' HD13 ' A' ' 99' ' ' LEU . 35.7 m -68.93 -45.54 70.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.29 -39.43 94.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.024 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -66.33 -45.57 79.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.994 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.439 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 12.3 mm-40 -69.37 -31.51 69.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.139 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.736 HG22 HG21 ' A' ' 23' ' ' VAL . 6.9 m -89.03 7.53 34.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.345 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.91 125.4 32.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.359 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.79 -34.26 0.88 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.64 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.643 ' O ' HG12 ' A' ' 23' ' ' VAL . 39.5 m-85 -78.16 138.7 60.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.691 0.282 . . . . 0.0 110.826 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.41 92.53 1.07 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.662 2.241 . . . . 0.0 112.492 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.33 -3.33 8.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.779 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.736 HG21 HG22 ' A' ' 17' ' ' THR . 10.2 p -78.41 120.69 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 0.0 111.01 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.27 93.52 4.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.668 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.598 HG21 ' HB ' ' A' ' 17' ' ' THR . 21.4 t -97.41 85.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.367 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.4 t -149.79 20.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -138.21 142.77 39.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.96 39.09 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.989 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 t -169.23 -78.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.348 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.9 t -56.8 -40.61 76.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.496 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.42 -27.0 33.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.401 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.618 ' CH2' HD21 ' A' ' 99' ' ' LEU . 12.6 m95 -102.28 14.58 31.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.566 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.402 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -62.85 -47.68 82.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.353 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 56.0 p-10 -86.14 5.55 33.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.389 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.52 21.68 35.73 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.847 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.674 HD22 ' HG3' ' A' ' 56' ' ' GLN . 20.8 tp -70.67 -30.44 67.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.804 0.335 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.409 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -61.91 -47.18 86.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.5 HD22 HD12 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -66.95 -46.18 75.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.69 -39.21 93.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.507 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 20' ' ' TYR . . . -59.39 -40.7 87.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.77 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 38' ' ' LEU . 10.1 mt -62.37 -51.6 66.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.738 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.551 HG12 HD13 ' A' ' 50' ' ' LEU . 22.0 t -58.75 -46.65 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.466 ' CD2' ' HD2' ' A' ' 52' ' ' PRO . 47.5 t80 -59.15 -37.74 78.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -38.2 89.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.79 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.485 HD21 ' CE2' ' A' ' 106' ' ' PHE . 3.9 mm? -86.46 -29.64 22.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.704 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -146.11 74.46 13.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.532 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 56.0 Cg_endo -70.64 -30.76 17.72 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.509 2.139 . . . . 0.0 112.252 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.77 -21.42 73.07 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.534 ' O ' HD12 ' A' ' 50' ' ' LEU . 34.7 mt -116.17 39.21 3.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.647 0.26 . . . . 0.0 111.324 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.551 HD13 HG12 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -161.34 170.7 19.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.001 0.429 . . . . 0.0 111.235 179.736 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -158.91 62.4 2.14 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.519 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.466 ' HD2' ' CD2' ' A' ' 43' ' ' TYR . 17.6 Cg_endo -57.14 -18.89 31.22 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.887 2.391 . . . . 0.0 112.676 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.4 p -62.16 -45.75 92.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.846 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -50.05 32.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.203 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 63' ' ' ALA . 4.0 mm? -62.78 -17.07 60.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.674 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.674 ' HG3' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -60.88 -39.83 90.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 111.268 -179.529 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -118.46 -10.31 8.76 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.841 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -31.13 71.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.769 0.319 . . . . 0.0 110.701 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.36 153.94 7.82 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.651 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -74.05 -64.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.319 . . . . 0.0 111.042 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 tt -62.28 -37.59 86.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.14 -44.9 96.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.037 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.61 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -63.86 -43.79 95.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.695 HG22 HD13 ' A' ' 68' ' ' LEU . 5.2 m -67.31 -50.73 58.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.54 98.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.74 ' O ' HG22 ' A' ' 70' ' ' VAL . 32.8 t90 -66.8 -42.2 86.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.999 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 71' ' ' ALA . . . -70.53 -37.68 74.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.254 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.695 HD13 HG22 ' A' ' 64' ' ' THR . 0.3 OUTLIER -66.47 -46.06 77.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.04 -179.815 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -48.49 74.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.915 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 66' ' ' TRP . 27.2 m -68.5 -38.63 79.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.015 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 67' ' ' ALA . . . -55.29 -44.24 75.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.033 0.444 . . . . 0.0 110.404 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.483 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 0.2 OUTLIER -69.66 -37.31 76.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.465 179.265 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.36 -41.19 70.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.519 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' OE1' HD13 ' A' ' 49' ' ' LEU . 36.6 mm-40 -80.8 -42.46 21.66 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.97 -45.31 5.22 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.483 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 110.17 19.72 7.89 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.691 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.7 mt -86.63 117.93 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.769 0.319 . . . . 0.0 111.108 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.4 t -74.15 133.47 78.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.36 134.17 62.33 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.44 2.093 . . . . 0.0 112.474 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.418 HG23 ' HE1' ' A' ' 98' ' ' TYR . 39.0 t -114.75 -23.72 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.273 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.2 m -130.58 160.47 41.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.495 ' O ' HG23 ' A' ' 86' ' ' VAL . 84.6 p -90.45 150.44 21.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -61.53 -43.68 98.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -37.77 67.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.85 79.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.539 HG13 HD21 ' A' ' 95' ' ' LEU . 21.6 t -66.43 -50.98 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.191 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 83' ' ' ALA . 21.8 t -63.55 -27.84 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.295 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.92 -13.47 53.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.485 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.88 27.59 59.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.61 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -112.94 31.87 6.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.705 0.288 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -155.95 57.13 1.44 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -61.97 -39.79 48.09 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.591 2.194 . . . . 0.0 112.238 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.19 -44.57 88.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.022 0.439 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.23 -36.27 89.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.273 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.539 HD21 HG13 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -61.88 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 110.803 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.586 HG23 ' CD2' ' A' ' 9' ' ' LEU . 60.9 mt -64.12 -41.22 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.72 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.67 -33.97 72.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.738 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.418 ' HE1' HG23 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -68.59 -45.55 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.785 179.813 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.618 HD21 ' CH2' ' A' ' 32' ' ' TRP . 59.8 mt -59.06 -32.74 70.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.74 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 m -59.95 -36.74 77.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.717 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -74.31 -41.74 60.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -63.42 -37.43 87.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.781 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -64.06 -45.17 89.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 m -58.69 -38.39 78.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.44 -41.67 27.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.485 ' CE2' HD21 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.87 -31.05 71.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.5 -32.1 48.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 t -98.36 36.93 1.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.81 0.338 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -112.44 29.81 8.01 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -113.79 87.77 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -68.79 128.69 37.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -106.34 113.95 27.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -161.61 141.33 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -179.84 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 1.3 t60 67.67 29.22 7.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.8 mmm 57.09 170.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.005 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -176.81 -70.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.333 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -38.12 75.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.78 0.324 . . . . 0.0 110.804 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.06 -31.34 64.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.84 -51.19 60.58 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -68.01 -35.71 78.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.966 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.532 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -63.44 -32.73 74.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.967 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -62.6 -46.74 86.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.464 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 6.6 pt-20 -66.22 -33.95 76.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.845 0.355 . . . . 0.0 111.082 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.599 HD13 HG23 ' A' ' 96' ' ' ILE . 73.8 mt -73.84 -46.82 42.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.777 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -63.48 -45.98 88.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.034 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -59.71 -42.4 92.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.009 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.598 ' NE1' ' CE1' ' A' ' 103' ' ' HIS . 73.9 t90 -63.76 -44.14 94.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.781 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.8 t -64.53 -45.39 87.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -61.18 -41.08 96.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -66.28 -45.59 79.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.764 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.68 -28.88 62.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.751 HG23 ' CB ' ' A' ' 40' ' ' ALA . 57.8 m -91.33 7.42 41.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.453 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.13 143.87 33.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.2 -36.15 2.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -70.08 128.47 91.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.568 0.223 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.42 68.42 1.5 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.651 2.234 . . . . 0.0 112.525 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.7 38.41 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.287 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.743 HG21 HG22 ' A' ' 17' ' ' THR . 14.1 p -117.76 120.67 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.037 0.446 . . . . 0.0 111.214 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -121.51 68.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.651 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.671 HG23 HG22 ' A' ' 23' ' ' VAL . 21.2 t -71.95 93.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.367 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.8 m -148.51 20.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.35 142.53 39.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.455 HD11 HD11 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -98.83 39.18 1.29 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.805 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -168.76 -77.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.29 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.3 m -56.14 -39.08 71.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.349 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.35 -24.16 27.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.42 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.645 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 6.8 m95 -102.29 14.77 31.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.352 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.791 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -59.28 -54.24 49.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.415 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.849 ' CG ' HD23 ' A' ' 36' ' ' LEU . 18.1 p30 -87.95 10.06 20.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.544 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.96 30.89 77.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.697 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.904 HD21 ' CG ' ' A' ' 56' ' ' GLN . 1.6 mm? -74.03 -34.22 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.645 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -68.75 -46.95 67.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.259 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.827 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.3 mp -68.96 -45.95 69.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.181 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 93.7 m -66.36 -43.08 87.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.086 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.751 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -57.05 -45.97 82.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.164 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.0 mt -64.19 -50.53 67.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 38' ' ' LEU . 22.2 t -58.57 -39.19 74.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.358 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -69.23 -40.49 77.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.046 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -62.94 -30.66 71.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.032 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.747 HD13 ' CE2' ' A' ' 106' ' ' PHE . 1.6 mt -93.1 -50.48 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 13.3 pt20 -120.99 67.54 15.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.505 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.24 -27.52 34.77 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.587 2.192 . . . . 0.0 112.116 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.45 -15.45 72.91 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.63 34.41 4.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.693 0.282 . . . . 0.0 111.183 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.499 HD13 ' H ' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -148.85 158.62 44.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.968 0.413 . . . . 0.0 111.15 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.499 ' H ' HD13 ' A' ' 50' ' ' LEU . 31.0 mt-10 -148.33 71.09 10.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.29 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 56' ' ' GLN . 14.2 Cg_endo -56.37 -46.73 28.27 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.924 2.416 . . . . 0.0 112.655 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 p -54.0 -31.86 52.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.249 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.839 ' O ' HD13 ' A' ' 58' ' ' LEU . 53.0 tt0 -71.41 -50.31 33.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.508 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 55' ' ' LEU . 3.7 mm? -84.38 -9.62 58.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.938 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.904 ' CG ' HD21 ' A' ' 36' ' ' LEU . 2.4 tt0 -60.6 -37.56 81.77 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.46 -26.27 3.2 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.29 -0.957 . . . . 0.0 112.924 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.839 HD13 ' O ' ' A' ' 54' ' ' GLU . 1.8 mp -50.37 -34.62 24.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 111.263 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.31 150.69 6.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.715 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.791 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -77.24 -58.89 3.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.994 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.85 -37.6 76.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.6 -40.46 84.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.82 -42.77 97.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.091 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -46.8 78.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.19 -43.35 87.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.396 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.639 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.8 t90 -65.27 -49.96 67.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.992 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.7 -39.44 93.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.239 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.476 HD21 ' HB3' ' A' ' 79' ' ' PRO . 5.9 tp -65.38 -44.86 86.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -48.27 73.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.13 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 66' ' ' TRP . 32.7 m -68.49 -43.19 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.449 ' N ' HG23 ' A' ' 70' ' ' VAL . . . -55.48 -46.09 76.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 0.0 110.584 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 10.7 pt-20 -69.82 -37.1 76.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.596 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 3.8 m-20 -69.68 -41.34 75.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.478 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.78 -42.37 21.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HA ' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -90.75 -33.99 15.52 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.22 26.97 16.94 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.43 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.2 mt -99.13 125.03 52.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.792 0.329 . . . . 0.0 111.185 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -74.14 133.63 78.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.476 ' HB3' HD21 ' A' ' 68' ' ' LEU . 52.9 Cg_exo -55.07 145.39 64.38 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.587 2.191 . . . . 0.0 112.436 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.4 t -117.76 -27.72 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.334 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 82' ' ' SER . 21.6 t -136.23 159.15 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 111.076 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.488 ' N ' HG12 ' A' ' 81' ' ' VAL . 0.4 OUTLIER -85.87 156.34 20.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.991 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.56 98.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -55.46 -37.71 68.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.42 -43.85 76.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 82' ' ' SER . 21.6 t -67.75 -51.07 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.249 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 50.8 t -63.04 -36.38 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.09 -13.44 53.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.418 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.94 28.1 71.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.523 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -98.62 30.98 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.486 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 7.8 m-20 -161.41 69.48 2.46 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.05 -40.58 41.75 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.662 2.241 . . . . 0.0 112.248 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.33 -36.39 73.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.443 ' HA3' HG21 ' A' ' 81' ' ' VAL . . . -73.18 -38.77 54.13 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.442 HD22 HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.01 -43.25 95.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.599 HG23 HD13 ' A' ' 9' ' ' LEU . 32.1 mm -67.76 -46.78 81.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.02 92.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -69.05 -48.23 63.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.07 -42.01 84.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.2 t -61.77 -36.9 82.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.51 -42.17 78.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.56 -46.73 81.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.003 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.598 ' CE1' ' NE1' ' A' ' 12' ' ' TRP . 1.0 OUTLIER -66.43 -51.26 58.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 93.0 p -63.33 -42.4 98.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.406 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.45 85.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.42 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.747 ' CE2' HD13 ' A' ' 45' ' ' LEU . 24.9 m-85 -83.75 1.92 40.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.39 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.45 -30.39 23.56 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.87 0.367 . . . . 0.0 110.745 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 m -97.52 38.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 4.5 ptt? . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.8 0.333 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -139.96 114.34 0.97 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.543 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -145.18 -58.43 0.34 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.826 0.346 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -111.15 46.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 46.3 m80 60.96 158.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -137.96 121.06 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -109.16 -31.0 7.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 66.3 -75.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.5 mmt -106.36 -177.39 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 157.4 -61.27 0.33 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -64.76 1.01 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.84 0.352 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.95 -29.88 67.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.169 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.77 -41.86 99.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.55 -33.58 64.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.469 ' OE1' HD11 ' A' ' 96' ' ' ILE . 98.1 mm-40 -63.39 -32.89 74.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.57 -46.86 86.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.335 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -67.28 -31.7 72.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.064 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.687 HD22 HD12 ' A' ' 96' ' ' ILE . 1.1 mp -68.73 -48.66 63.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -63.7 -38.49 91.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.779 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -59.81 -42.52 93.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.014 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.469 ' NE1' ' CE1' ' A' ' 103' ' ' HIS . 45.7 t90 -67.71 -37.89 82.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -45.65 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.402 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 8.2 pt20 -65.2 -35.03 79.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.033 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -64.23 -45.82 86.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.432 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 17.5 mm-40 -70.73 -29.85 66.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.83 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.935 HG22 ' HB3' ' A' ' 40' ' ' ALA . 14.9 p -89.98 7.51 37.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.358 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.23 135.34 35.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.801 0.334 . . . . 0.0 111.099 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.52 -28.86 2.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.52 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.648 ' O ' HG12 ' A' ' 23' ' ' VAL . 50.9 m-85 -76.8 138.32 66.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.56 0.219 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.18 93.5 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.575 2.183 . . . . 0.0 112.507 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.93 -1.95 8.49 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.626 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 20' ' ' TYR . 11.0 p -78.47 120.63 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.955 0.407 . . . . 0.0 111.075 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -129.53 61.52 1.55 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.504 HG23 HG22 ' A' ' 23' ' ' VAL . 26.0 t -72.38 102.47 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.361 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -149.66 21.94 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -138.18 144.43 40.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.753 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.479 HD23 HD22 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -95.88 35.31 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.032 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.3 m -166.25 -71.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.379 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -56.86 -43.83 81.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.314 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.24 -29.95 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.279 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.458 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 33.9 m95 -89.17 -0.38 57.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.485 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.725 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -53.01 -58.9 5.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.708 0.29 . . . . 0.0 111.453 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.865 ' CG ' HD23 ' A' ' 36' ' ' LEU . 15.3 p30 -79.48 -6.92 57.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.3 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.63 34.96 59.42 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.548 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.894 HD21 ' HG2' ' A' ' 56' ' ' GLN . 2.1 mm? -74.95 -29.35 60.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.689 0.281 . . . . 0.0 111.08 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.458 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -66.41 -47.35 73.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 111.297 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.714 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -72.51 -34.83 67.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.436 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 10.5 m -69.18 -49.19 58.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.935 ' HB3' HG22 ' A' ' 17' ' ' THR . . . -58.84 -41.44 86.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.311 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.4 -52.56 64.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.011 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 38' ' ' LEU . 25.2 t -61.89 -49.63 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.206 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.427 ' HB2' ' HG3' ' A' ' 52' ' ' PRO . 50.0 t80 -54.82 -37.95 66.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.056 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -64.16 -43.14 96.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.978 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.687 HD22 ' CZ ' ' A' ' 106' ' ' PHE . 11.1 mp -76.28 -30.87 57.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.015 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -150.76 76.75 8.04 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.775 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 61.4 Cg_endo -73.28 -27.43 13.52 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.573 2.182 . . . . 0.0 112.32 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.72 -28.0 71.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.531 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.1 mt -105.99 25.59 10.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.672 0.272 . . . . 0.0 111.243 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.595 ' CD1' HG12 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -144.75 164.11 32.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 111.196 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 27.1 mt-10 -157.26 50.84 0.45 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.695 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 50' ' ' LEU . 20.3 Cg_endo -60.29 -17.36 46.29 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.73 2.287 . . . . 0.0 112.674 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.2 m -55.51 -41.28 72.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.053 0.454 . . . . 0.0 110.546 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.583 ' O ' HD13 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -71.68 -49.97 34.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.131 179.726 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 1.8 mt -73.95 -9.85 59.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.035 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.894 ' HG2' HD21 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -60.41 -34.29 73.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.32 . . . . 0.0 111.097 -179.328 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.09 -20.27 3.09 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.784 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -58.7 -33.6 70.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.882 0.372 . . . . 0.0 111.05 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.72 141.12 3.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.725 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -67.85 -57.28 6.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.452 HD11 ' N ' ' A' ' 84' ' ' GLN . 2.6 tp -60.56 -37.5 81.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -43.0 99.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.93 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -67.31 -43.31 81.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.245 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 m -67.34 -50.74 58.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.065 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.63 98.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.223 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.65 ' O ' HG22 ' A' ' 70' ' ' VAL . 50.3 t90 -66.91 -42.05 86.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 71' ' ' ALA . . . -67.08 -37.38 83.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.158 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.6 mt -64.57 -46.04 84.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -48.21 72.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.154 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 66' ' ' TRP . 27.6 m -68.48 -38.55 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.987 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 67' ' ' ALA . . . -55.41 -44.03 75.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.464 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.43 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 3.1 tt0 -70.05 -37.54 75.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.395 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -68.58 -41.5 79.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.22 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -80.94 -42.37 21.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.533 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.407 HD21 HD23 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -103.79 -63.69 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.642 -179.258 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 117.24 35.22 1.13 Allowed Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.481 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.898 HG21 ' CE1' ' A' ' 102' ' ' PHE . 23.1 mm -84.13 130.41 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -74.14 115.18 40.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -57.39 135.38 69.64 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.468 2.112 . . . . 0.0 112.336 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.548 ' O ' HG12 ' A' ' 80' ' ' VAL . 21.2 t -126.73 1.16 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.714 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.1 m -149.74 160.44 4.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.803 0.335 . . . . 0.0 111.063 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.7 OUTLIER -98.25 159.41 14.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -63.79 -43.61 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.452 ' N ' HD11 ' A' ' 61' ' ' LEU . 23.6 pt20 -57.99 -36.17 72.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.46 -45.14 73.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 82' ' ' SER . 21.6 t -61.8 -48.35 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 83' ' ' ALA . 45.1 t -64.68 -30.35 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.202 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.61 52.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.514 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.5 30.3 55.43 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.584 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 m -107.65 35.83 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 0.0 110.966 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.418 ' N ' ' HD3' ' A' ' 92' ' ' PRO . 1.2 t70 -157.14 62.42 2.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.067 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 91' ' ' ASP . 40.0 Cg_exo -56.93 -42.85 59.97 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.436 2.091 . . . . 0.0 112.178 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.36 -41.99 85.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.42 -38.24 96.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.325 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.479 HD22 HD23 ' A' ' 28' ' ' LEU . 1.3 mp -61.15 -42.88 99.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.687 HD12 HD22 ' A' ' 9' ' ' LEU . 36.5 mm -63.8 -45.52 96.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.76 -43.4 85.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.42 ' CE2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -69.24 -47.09 65.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.43 -32.88 72.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.7 -37.58 82.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -72.9 -42.6 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.898 ' CE1' HG21 ' A' ' 77' ' ' ILE . 9.3 m-85 -67.76 -40.05 84.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.469 ' CE1' ' NE1' ' A' ' 12' ' ' TRP . 0.8 OUTLIER -64.63 -51.35 63.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.7 t -57.18 -38.62 73.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.83 -43.99 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.687 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 3.0 m-85 -66.08 -31.6 72.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.825 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -72.45 -56.88 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.2 m -63.53 -51.53 65.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 ttp . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.854 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 9.8 ttt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.819 0.342 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -176.05 -83.99 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 17.2 m170 60.69 108.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.979 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.72 29.56 3.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -150.0 136.95 19.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -75.27 121.8 22.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.87 146.75 29.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -129.87 169.75 14.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 60.67 78.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -145.55 27.88 1.79 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 p -129.61 -46.07 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.722 0.296 . . . . 0.0 110.798 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.82 -34.48 66.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.4 -28.51 65.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.548 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -65.26 -27.11 68.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.796 0.332 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -59.06 -32.75 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.71 -46.95 85.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 1.9 pt-20 -64.98 -31.6 72.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.117 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -71.81 -39.74 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.955 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -43.05 98.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.042 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -66.0 -37.85 86.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.022 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.494 ' CE2' ' CD2' ' A' ' 103' ' ' HIS . 86.8 t90 -62.94 -39.81 95.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.025 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.1 t -66.61 -45.46 79.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.938 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -64.54 -38.25 90.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -45.54 79.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.767 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -34.62 76.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.83 ' HB ' HG21 ' A' ' 25' ' ' VAL . 59.7 m -88.26 7.47 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.399 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.85 148.48 31.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.16 -30.6 6.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.593 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -85.81 121.61 73.11 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.535 0.207 . . . . 0.0 110.784 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.68 120.74 6.29 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.438 2.092 . . . . 0.0 112.459 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.96 -28.07 14.22 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.257 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.45 120.47 29.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -105.16 139.73 39.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.738 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.83 HG21 ' HB ' ' A' ' 17' ' ' THR . 21.8 t -127.03 89.01 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.276 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.59 21.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.008 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -138.19 136.46 36.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.784 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.64 37.9 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.987 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -166.61 -70.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.029 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -57.8 -42.09 83.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.214 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -24.41 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.258 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.573 ' HH2' HD21 ' A' ' 99' ' ' LEU . 17.8 m95 -98.79 1.86 46.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.605 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.681 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -54.73 -59.64 4.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.685 0.279 . . . . 0.0 111.274 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.856 ' CG ' HD23 ' A' ' 36' ' ' LEU . 24.2 p30 -79.56 -2.96 44.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.243 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.04 26.83 63.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.631 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.856 HD23 ' CG ' ' A' ' 34' ' ' ASP . 1.4 mm? -67.66 -41.43 83.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.293 . . . . 0.0 110.96 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.437 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -60.0 -47.23 86.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.239 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.09 -45.99 75.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.422 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -61.54 -45.78 92.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.957 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.39 78.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.268 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.69 -52.42 64.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.58 -49.34 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CD1' ' CD ' ' A' ' 52' ' ' PRO . 63.6 t80 -56.52 -37.87 71.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.81 -42.34 99.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.504 HD13 ' CE2' ' A' ' 106' ' ' PHE . 11.1 mp -80.69 -37.29 31.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.497 ' O ' HD23 ' A' ' 50' ' ' LEU . 7.9 mm-40 -139.51 72.78 36.71 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.769 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.439 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 59.2 Cg_endo -71.9 -25.73 19.57 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.59 2.193 . . . . 0.0 112.379 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.63 -37.34 77.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.701 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.876 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -102.16 30.03 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.713 0.292 . . . . 0.0 111.238 -179.663 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.891 HD11 HG21 ' A' ' 70' ' ' VAL . 2.8 mm? -140.02 166.73 23.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -155.35 61.55 2.98 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.419 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.452 ' CD ' ' CD1' ' A' ' 43' ' ' TYR . 19.4 Cg_endo -58.78 -35.97 97.79 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.958 2.439 . . . . 0.0 112.806 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 t -54.33 -36.53 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.124 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.59 ' O ' HD13 ' A' ' 58' ' ' LEU . 2.8 tt0 -71.75 -50.4 30.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.544 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.03 -9.64 59.6 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.818 ' CG ' HD21 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -60.43 -35.56 76.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.067 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -123.71 -8.59 6.2 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.324 -0.941 . . . . 0.0 113.346 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -72.2 -28.62 63.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.926 0.363 . . . . 0.0 111.175 -179.841 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.06 149.39 6.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.804 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.681 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -76.18 -57.15 4.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.826 0.346 . . . . 0.0 111.007 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.66 -37.59 79.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.802 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -63.8 -46.8 83.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.97 -42.2 97.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.53 -50.32 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.55 97.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.727 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -66.91 -48.9 67.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 71' ' ' ALA . . . -63.92 -38.92 92.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.2 tp -65.35 -46.02 81.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.032 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.16 -48.38 73.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.01 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.891 HG21 HD11 ' A' ' 50' ' ' LEU . 26.9 m -68.58 -38.55 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.075 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 67' ' ' ALA . . . -55.65 -46.27 77.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.665 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.458 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 10.7 pt-20 -70.11 -37.44 75.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.572 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -69.16 -41.63 76.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.282 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -81.11 -42.47 20.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.83 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.519 HD22 ' HB ' ' A' ' 77' ' ' ILE . 7.6 tt -96.43 -56.2 2.68 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -178.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 109.9 29.79 3.69 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.463 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.798 HD11 ' HB3' ' A' ' 101' ' ' HIS . 1.6 tt -95.81 128.71 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.322 . . . . 0.0 111.258 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 75.1 m -74.08 126.13 89.51 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.17 137.22 70.11 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.447 2.098 . . . . 0.0 112.276 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.5 t -113.48 -19.51 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.35 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 82' ' ' SER . 21.6 t -139.47 156.57 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.814 0.34 . . . . 0.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.443 ' N ' HG12 ' A' ' 81' ' ' VAL . 65.9 m -86.92 160.87 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -65.0 -42.83 94.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -60.84 -34.78 75.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.49 -46.58 69.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.398 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 87' ' ' VAL . 29.4 m -70.29 -45.16 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.422 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 83' ' ' ALA . 46.9 t -61.86 -33.0 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.026 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.54 52.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.474 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 56.14 27.35 51.76 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.662 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.17 36.65 2.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.74 63.64 5.96 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.51 -42.75 63.26 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.568 2.179 . . . . 0.0 112.303 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -40.89 96.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.96 -40.34 88.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.95 -42.71 94.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.8 mt -67.66 -41.19 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.92 98.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -68.67 -43.34 76.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.573 HD21 ' HH2' ' A' ' 32' ' ' TRP . 9.1 mt -59.32 -32.98 70.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.8 m -66.23 -37.04 84.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.798 ' HB3' HD11 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -69.88 -45.41 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.541 ' CE1' HG21 ' A' ' 77' ' ' ILE . 4.0 m-85 -68.14 -36.61 79.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.494 ' CD2' ' CE2' ' A' ' 12' ' ' TRP . 8.7 t-160 -62.85 -51.23 67.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.1 p -64.39 -43.78 93.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.946 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.99 -44.27 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.197 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.504 ' CE2' HD13 ' A' ' 45' ' ' LEU . 3.2 m-85 -65.88 -30.27 70.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.437 ' HD3' ' CD2' ' A' ' 103' ' ' HIS . 1.3 ttpt -73.13 -28.75 62.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -97.11 37.87 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.799 0.333 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.7 -46.87 86.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.39 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -70.31 -31.67 69.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.704 0.288 . . . . 0.0 111.051 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.437 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 20.8 mt -74.31 -48.56 27.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.79 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mt -63.45 -36.08 82.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -65.95 -44.38 85.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.431 ' CE2' ' CD2' ' A' ' 103' ' ' HIS . 87.2 t90 -67.73 -36.62 80.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.0 t -65.28 -45.43 84.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -63.33 -36.92 85.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.96 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.28 -45.64 79.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.802 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.78 -34.48 77.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.797 HG23 ' CB ' ' A' ' 40' ' ' ALA . 14.6 m -87.93 7.34 31.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.536 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.46 125.24 30.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.828 0.347 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.15 -31.52 1.95 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -76.84 121.43 84.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.577 0.227 . . . . 0.0 110.754 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.11 56.36 3.09 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.55 2.166 . . . . 0.0 112.707 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.99 36.29 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.654 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.433 HG13 HD12 ' A' ' 36' ' ' LEU . 22.3 t -138.08 120.84 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.09 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.86 125.82 53.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.73 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.638 HG21 ' CB ' ' A' ' 17' ' ' THR . 21.3 t -121.75 91.07 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.287 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.7 m -148.62 21.4 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.14 140.5 39.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.744 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.436 HD21 ' CG2' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -96.36 37.81 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.914 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.6 m -164.49 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.159 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -39.04 74.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.375 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.3 m -54.87 -26.5 35.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.32 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.605 ' HZ2' HD11 ' A' ' 99' ' ' LEU . 10.5 m95 -102.42 5.19 39.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.527 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.754 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -54.85 -60.97 2.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.761 0.315 . . . . 0.0 111.23 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.816 ' CG ' HD23 ' A' ' 36' ' ' LEU . 14.8 p30 -83.58 3.35 32.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.461 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.06 30.32 61.31 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.619 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.816 HD23 ' CG ' ' A' ' 34' ' ' ASP . 1.7 mm? -74.56 -46.03 41.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.68 0.276 . . . . 0.0 111.071 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.37 -47.18 87.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.833 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -66.83 -45.38 78.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.994 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.5 m -63.93 -42.62 97.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.797 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -57.81 -41.23 81.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.575 HD23 ' HE2' ' A' ' 106' ' ' PHE . 0.3 OUTLIER -68.22 -50.84 51.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 38' ' ' LEU . 12.1 t -57.94 -46.8 87.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.446 ' CG ' ' HG3' ' A' ' 52' ' ' PRO . 49.2 t80 -58.4 -37.99 76.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.952 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -37.73 88.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HG ' ' CE1' ' A' ' 106' ' ' PHE . 4.4 mm? -77.12 -42.03 39.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.46 76.97 74.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.442 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 36.0 Cg_endo -65.18 -27.18 56.73 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.539 2.159 . . . . 0.0 112.19 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.77 3.28 77.78 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.718 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.884 ' O ' HD22 ' A' ' 50' ' ' LEU . 4.3 mt -136.47 28.89 3.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.765 0.317 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.884 HD22 ' O ' ' A' ' 49' ' ' LEU . 1.8 mm? -143.28 163.72 32.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.0 0.429 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -147.81 65.1 8.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.54 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.446 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 12.1 Cg_endo -55.52 -52.37 7.8 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.757 2.305 . . . . 0.0 112.496 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.89 -29.62 42.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.839 ' O ' HD13 ' A' ' 58' ' ' LEU . 70.5 tt0 -71.51 -50.1 34.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.346 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.428 ' N ' HD22 ' A' ' 55' ' ' LEU . 3.9 mm? -84.3 -9.6 58.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.853 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.813 ' CG ' HD21 ' A' ' 36' ' ' LEU . 1.8 tt0 -60.56 -38.5 84.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.858 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -115.55 -25.92 3.56 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.875 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.839 HD13 ' O ' ' A' ' 54' ' ' GLU . 1.6 mp -49.25 -34.19 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.728 0.299 . . . . 0.0 111.343 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.28 155.53 7.9 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.852 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.754 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -78.78 -55.19 5.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.979 0.418 . . . . 0.0 111.043 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.694 HD23 HG21 ' A' ' 87' ' ' VAL . 21.7 mt -58.48 -40.1 81.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.31 -39.11 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.53 95.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.4 m -67.35 -50.6 59.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.56 96.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.305 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.697 ' O ' HG22 ' A' ' 70' ' ' VAL . 33.8 t90 -66.91 -50.04 63.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.95 95.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.7 mt -66.16 -41.36 90.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.63 -48.48 63.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.945 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 66' ' ' TRP . 27.1 m -68.45 -40.44 82.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.051 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.64 75.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.093 0.473 . . . . 0.0 110.244 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 45.9 tt0 -69.8 -37.43 76.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.444 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -71.02 -41.34 70.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.569 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.06 -42.32 21.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.088 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.77 -42.41 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 103.97 19.66 11.55 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.52 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.9 mm -95.78 116.06 36.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.862 0.363 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.9 m -74.31 132.96 78.3 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.9 148.54 37.5 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.572 2.181 . . . . 0.0 112.314 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.459 HG23 ' CD1' ' A' ' 98' ' ' TYR . 19.2 t -113.21 -25.02 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.253 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.482 HG21 ' HA3' ' A' ' 94' ' ' GLY . 21.6 t -133.97 158.34 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.98 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.833 ' O ' HG23 ' A' ' 86' ' ' VAL . 2.4 t -75.84 154.63 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -61.43 -43.51 98.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -55.88 -44.0 77.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.04 84.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 82' ' ' SER . 29.0 t -63.77 -51.12 73.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.694 HG21 HD23 ' A' ' 61' ' ' LEU . 22.0 t -63.17 -33.91 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.04 -13.5 52.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.572 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.63 32.29 83.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.8 p -102.31 36.45 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.67 70.42 4.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -62.04 -42.74 28.2 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.654 2.236 . . . . 0.0 112.056 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.44 -35.83 82.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.807 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.482 ' HA3' HG21 ' A' ' 81' ' ' VAL . . . -76.67 -39.8 28.5 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.654 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.515 HD11 HG13 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -64.53 -43.49 93.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.755 0.312 . . . . 0.0 111.0 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.436 ' CG2' HD21 ' A' ' 28' ' ' LEU . 2.0 pp -67.7 -41.12 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.016 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.14 96.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.459 ' CD1' HG23 ' A' ' 80' ' ' VAL . 1.1 t80 -61.41 -44.64 96.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.605 HD11 ' HZ2' ' A' ' 32' ' ' TRP . 1.3 mt -58.11 -34.33 70.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.662 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.2 m -64.61 -38.3 90.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.676 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.47 -43.67 93.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.405 ' O ' ' CD2' ' A' ' 106' ' ' PHE . 21.0 m-85 -68.21 -37.87 81.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.709 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.431 ' CD2' ' CE2' ' A' ' 12' ' ' TRP . 11.9 t-160 -67.6 -45.47 75.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.85 -37.31 73.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.575 ' HE2' HD23 ' A' ' 41' ' ' LEU . 1.4 m-85 -87.19 -33.65 19.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.9 tptt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.943 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.823 0.344 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -65.49 -38.99 91.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.054 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -62.46 -46.47 88.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.005 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -36.48 76.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.614 HD11 HD11 ' A' ' 28' ' ' LEU . 11.5 mt -63.55 -46.18 87.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -66.28 -32.41 73.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.058 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.446 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 52.4 t90 -67.82 -49.47 62.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.898 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -62.8 -45.4 92.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -43.39 98.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.29 -45.78 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 110.698 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -70.76 -28.51 64.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.871 HG23 ' CB ' ' A' ' 40' ' ' ALA . 59.1 m -88.1 7.5 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.44 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.65 140.99 31.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.793 0.33 . . . . 0.0 111.11 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.41 -24.53 3.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.612 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.625 ' O ' HG23 ' A' ' 23' ' ' VAL . 15.0 m-85 -86.1 145.11 39.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.675 0.274 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.21 62.76 1.46 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.555 2.17 . . . . 0.0 112.344 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.02 39.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.291 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 20' ' ' TYR . 40.2 t -88.89 120.8 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.024 0.44 . . . . 0.0 111.027 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -144.08 38.61 1.31 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.599 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.534 HG21 HG21 ' A' ' 17' ' ' THR . 21.3 t -66.24 97.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.301 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.2 m -146.16 20.84 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -138.22 146.94 43.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.528 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.614 HD11 HD11 ' A' ' 10' ' ' LEU . 1.8 mp -99.66 39.38 1.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.03 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -169.58 -80.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.386 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.6 t -57.83 -24.22 56.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.52 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.5 t -68.47 -31.97 71.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.34 . . . . 0.0 111.091 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 13.8 m95 -94.12 14.62 19.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.43 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.43 -56.52 19.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.788 0.328 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.619 ' CG ' HD23 ' A' ' 36' ' ' LEU . 11.8 p30 -86.49 0.7 53.69 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.363 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.34 36.79 79.13 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.736 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.709 HD21 ' HG3' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -74.96 -36.69 62.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 111.197 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.468 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -68.66 -47.1 67.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.509 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 42' ' ' VAL . 16.9 tp -64.03 -46.19 85.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.212 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 74.9 m -70.35 -39.02 74.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.904 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.871 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -56.57 -39.73 73.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 110.998 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.16 -52.38 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 38' ' ' LEU . 18.9 t -59.2 -36.36 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -66.19 -37.95 86.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.853 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.68 -42.58 99.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.554 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.45 -35.56 34.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.417 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.666 ' HB2' HD12 ' A' ' 49' ' ' LEU . 3.7 mt-30 -141.93 92.05 7.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.419 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.62 -50.88 2.15 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.571 2.181 . . . . 0.0 112.365 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.21 -17.64 56.33 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.83 ' HB3' HD12 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -53.61 -66.45 0.39 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.627 0.251 . . . . 0.0 111.435 -179.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.861 HD23 ' CE3' ' A' ' 66' ' ' TRP . 0.7 OUTLIER -135.23 157.64 46.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.969 0.414 . . . . 0.0 111.378 -179.566 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -108.01 81.24 1.19 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.527 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HB3' ' HB3' ' A' ' 39' ' ' CYS . 9.8 Cg_endo -51.69 -30.77 38.39 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.778 2.319 . . . . 0.0 112.589 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -48.65 71.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.913 0.387 . . . . 0.0 111.159 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.5 ' O ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -71.37 -50.14 35.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.711 -179.729 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.694 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 50.8 mt -70.99 -10.2 59.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.88 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.709 ' HG3' HD21 ' A' ' 36' ' ' LEU . 15.2 tt0 -60.85 -39.93 90.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.7 0.286 . . . . 0.0 111.324 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.34 -18.22 5.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.745 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -54.96 -32.01 61.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.841 0.353 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.11 132.23 1.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.478 -0.867 . . . . 0.0 112.552 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.1 -65.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.329 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.89 -37.46 84.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -45.29 92.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.15 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.78 -43.75 95.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.178 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -50.64 60.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.354 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.78 94.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.441 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.861 ' CE3' HD23 ' A' ' 50' ' ' LEU . 1.6 t90 -67.03 -37.91 84.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.543 ' HA ' HD22 ' A' ' 50' ' ' LEU . . . -70.53 -42.37 71.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.556 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.77 -42.91 76.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.682 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -69.06 -48.53 62.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.563 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.807 ' HB ' HD21 ' A' ' 50' ' ' LEU . 40.7 t -68.57 -44.55 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.207 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.22 -39.5 69.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.159 0.504 . . . . 0.0 109.922 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -37.02 75.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.251 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.99 -42.14 58.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.701 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.693 ' HB2' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -81.54 -42.59 19.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.659 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.08 -30.25 21.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.55 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.07 26.84 32.89 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 101' ' ' HIS . 15.9 tt -107.37 126.28 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -74.24 135.31 76.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.031 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.65 158.87 18.53 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.528 2.152 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.482 HG21 ' HA ' ' A' ' 98' ' ' TYR . 21.5 t -118.54 -26.15 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.453 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.492 HG22 ' N ' ' A' ' 82' ' ' SER . 10.7 p -144.36 158.79 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.492 ' N ' HG22 ' A' ' 81' ' ' VAL . 45.4 m -77.91 146.34 35.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.006 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.32 -43.7 92.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -54.8 -38.32 67.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.047 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.507 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.36 -41.07 81.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 82' ' ' SER . 21.5 t -66.87 -48.9 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.282 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 p -61.32 -34.71 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.277 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.08 -13.45 53.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.543 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.43 27.04 60.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.546 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.9 m -103.83 30.9 4.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.959 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.507 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 1.9 m-20 -159.83 70.76 3.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.01 -41.44 36.46 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.618 2.212 . . . . 0.0 112.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.25 -36.22 72.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.44 -39.85 49.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.615 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.445 HD21 ' CE2' ' A' ' 32' ' ' TRP . 0.7 OUTLIER -61.16 -43.08 99.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.659 0.266 . . . . 0.0 110.95 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.8 mm -67.24 -41.21 86.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.93 -39.09 80.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.482 ' HA ' HG21 ' A' ' 80' ' ' VAL . 5.8 t80 -69.39 -42.3 75.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.491 HD11 ' SG ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER -62.91 -34.49 77.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.9 m -59.67 -41.06 89.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.677 ' HB3' HD11 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -70.0 -44.81 68.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.475 ' CD2' ' CE1' ' A' ' 106' ' ' PHE . 0.2 OUTLIER -68.31 -41.58 80.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -65.48 -43.59 89.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 m -65.58 -38.48 89.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.97 -37.27 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.475 ' CE1' ' CD2' ' A' ' 102' ' ' PHE . 3.2 m-85 -65.81 -32.56 74.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.4 mttt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.95 179.918 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.792 0.33 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -46.82 86.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 4.1 pt-20 -66.28 -31.7 72.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.009 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 9' ' ' LEU . 2.5 mm? -64.74 -48.72 73.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.831 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.859 HD13 HD12 ' A' ' 28' ' ' LEU . 6.5 tp -63.49 -35.46 80.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.82 -44.19 94.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.497 ' CZ2' ' CD2' ' A' ' 103' ' ' HIS . 58.3 t90 -67.67 -47.36 69.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.73 -45.46 94.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.045 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.626 ' HA ' HG22 ' A' ' 17' ' ' THR . 18.1 tm0? -62.75 -34.91 78.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -66.4 -45.52 79.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.779 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.428 ' HG3' ' CZ3' ' A' ' 12' ' ' TRP . 13.4 mm-40 -67.7 -35.13 78.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.22 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.772 HG21 ' CG2' ' A' ' 25' ' ' VAL . 11.9 t -87.32 7.45 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.44 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.78 136.68 36.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.881 0.372 . . . . 0.0 111.071 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.32 -35.6 2.47 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.419 ' CE1' ' HB1' ' A' ' 40' ' ' ALA . 67.9 m-85 -70.09 136.46 87.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.544 0.211 . . . . 0.0 110.791 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.68 107.21 2.41 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.505 2.137 . . . . 0.0 112.447 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.07 -24.79 15.46 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.343 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.46 120.6 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.915 0.388 . . . . 0.0 111.196 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -134.56 71.89 1.45 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.665 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.772 ' CG2' HG21 ' A' ' 17' ' ' THR . 44.6 t -68.89 106.73 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.389 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.611 ' C ' HD21 ' A' ' 10' ' ' LEU . 62.3 m -151.73 21.03 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.945 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -138.35 148.58 44.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.742 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.859 HD12 HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -94.35 35.95 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.052 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -163.78 -69.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.8 0.333 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -46.08 91.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.465 ' HB3' HG13 ' A' ' 25' ' ' VAL . 21.6 m -52.67 -26.19 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.538 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.4 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 21.2 m95 -102.89 -2.01 28.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.676 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.541 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -51.96 -47.82 64.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.673 0.273 . . . . 0.0 111.475 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.66 ' CG ' HD23 ' A' ' 36' ' ' LEU . 9.9 p30 -95.33 -6.96 39.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.332 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.72 36.25 26.32 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.565 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.66 HD23 ' CG ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -75.0 -39.96 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.733 0.301 . . . . 0.0 111.117 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.426 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -62.14 -47.32 85.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.318 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -69.72 -42.36 74.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.838 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.8 m -64.15 -48.69 75.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.419 ' HB1' ' CE1' ' A' ' 20' ' ' TYR . . . -56.86 -42.67 80.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.318 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 38' ' ' LEU . 9.6 mt -59.64 -51.74 68.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.027 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 38' ' ' LEU . 24.6 t -61.66 -49.62 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.229 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.416 ' HB2' ' HG3' ' A' ' 52' ' ' PRO . 42.5 t80 -57.95 -37.96 75.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.058 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -63.09 -40.07 96.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.178 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.455 ' CD2' ' CZ ' ' A' ' 106' ' ' PHE . 3.8 mm? -83.18 -36.52 24.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.168 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.443 ' CD ' HD12 ' A' ' 49' ' ' LEU . 1.2 mm-40 -138.87 70.74 42.85 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.65 -26.32 16.45 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.544 2.163 . . . . 0.0 112.136 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.24 -7.8 88.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.808 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.443 HD12 ' CD ' ' A' ' 46' ' ' GLN . 61.1 mt -124.6 23.33 8.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.708 0.289 . . . . 0.0 111.228 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.525 HD23 ' HD3' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -147.74 162.73 38.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.915 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.503 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 19.6 mt-10 -148.21 46.75 0.47 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.525 ' HD3' HD23 ' A' ' 50' ' ' LEU . 18.7 Cg_endo -60.01 -17.52 45.23 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.485 2.124 . . . . 0.0 112.669 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -41.64 67.36 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.945 0.402 . . . . 0.0 110.571 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.81 -49.31 39.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.687 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 1.3 mt -69.35 -10.17 56.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.963 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.497 ' CD ' HD11 ' A' ' 36' ' ' LEU . 7.5 mt-30 -60.57 -34.8 74.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.733 0.301 . . . . 0.0 110.944 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.94 -4.0 6.78 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.903 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.21 -29.6 57.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.29 141.5 3.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.541 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -71.0 -55.57 8.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 111.044 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.9 mt -58.73 -41.5 86.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.5 -46.82 84.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -64.55 -43.19 94.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.443 HG21 ' HA ' ' A' ' 83' ' ' ALA . 5.1 m -67.28 -50.66 59.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.56 -43.68 89.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.229 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.602 ' O ' HG23 ' A' ' 70' ' ' VAL . 54.8 t90 -67.0 -48.53 68.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.03 94.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.264 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.426 HD12 HG22 ' A' ' 64' ' ' THR . 15.8 mt -64.31 -46.21 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -48.27 80.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.042 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 66' ' ' TRP . 36.9 t -68.51 -40.1 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.001 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.26 77.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.612 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.464 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 11.1 pt-20 -70.1 -37.12 75.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.433 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.405 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -69.32 -41.02 77.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.535 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -80.78 -42.42 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.799 HD23 HD11 ' A' ' 77' ' ' ILE . 3.5 mp -96.18 -37.43 10.57 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 97.34 23.01 15.24 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.421 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.799 HD11 HD23 ' A' ' 75' ' ' LEU . 18.2 mt -91.49 123.99 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.779 0.323 . . . . 0.0 111.229 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 78' ' ' THR . 8.9 t -74.14 119.97 79.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.02 148.23 39.89 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.473 2.115 . . . . 0.0 112.376 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.598 ' O ' HG12 ' A' ' 80' ' ' VAL . 24.0 t -128.03 4.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.524 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.4 m -149.72 160.33 5.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.676 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.2 m -101.23 154.64 18.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.793 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.443 ' HA ' HG21 ' A' ' 64' ' ' THR . . . -59.92 -43.7 94.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -55.25 -40.99 71.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.035 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.458 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.56 -37.15 79.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.1 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 82' ' ' SER . 19.4 t -66.12 -51.0 64.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 83' ' ' ALA . 21.3 t -64.34 -26.77 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.93 -13.6 53.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.521 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.5 27.19 47.48 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.645 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.88 42.34 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.458 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 2.2 t70 -144.6 62.61 9.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.02 -42.76 28.23 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.585 2.19 . . . . 0.0 112.343 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.4 mp -61.67 -38.36 87.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.15 -38.88 38.63 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.17 -43.26 99.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.3 mt -67.77 -45.88 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.73 92.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -63.41 -47.07 83.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.65 -32.85 73.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.781 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -43.67 96.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.86 -46.48 74.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 0.2 OUTLIER -61.73 -38.98 89.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.706 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.497 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 14.4 t-160 -68.06 -41.53 81.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -43.94 88.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.9 -31.8 66.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.455 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 3.4 m-30 -73.96 -31.16 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.77 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.3 tttt . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.012 -179.836 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.474 ' O ' HD12 ' A' ' 10' ' ' LEU . 30.4 mt-30 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.853 0.359 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.21 -46.91 84.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.267 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -63.46 -31.47 72.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.169 -179.716 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.488 ' CD1' HG23 ' A' ' 96' ' ' ILE . 58.3 mt -67.93 -44.59 76.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.915 0.388 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.612 HD23 ' HA ' ' A' ' 26' ' ' SER . 2.2 mp -63.52 -34.81 78.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -65.31 -44.33 88.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.436 ' CH2' ' HG3' ' A' ' 16' ' ' GLN . 83.1 t90 -67.68 -40.31 84.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.737 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.94 -44.64 84.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -60.87 -41.29 95.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.3 -45.59 79.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.603 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.436 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 23.9 mm100 -67.15 -31.76 72.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.541 ' O ' HG22 ' A' ' 17' ' ' THR . 46.9 m -87.77 7.35 30.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.431 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.88 125.35 29.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.838 0.351 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.03 -28.41 1.13 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 24.2 m-85 -88.93 121.4 69.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.476 0.179 . . . . 0.0 110.727 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 20.5 Cg_exo -65.81 68.38 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.556 2.171 . . . . 0.0 112.62 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.46 -27.54 0.68 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.994 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.428 ' CG2' HD12 ' A' ' 36' ' ' LEU . 21.0 t -78.5 122.55 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.961 0.41 . . . . 0.0 111.387 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.52 116.92 17.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.445 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.512 ' CG2' HG21 ' A' ' 17' ' ' THR . 19.4 t -96.77 88.4 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.585 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.612 ' HA ' HD23 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -146.15 18.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.981 179.487 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -138.2 140.66 39.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.552 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.487 ' CD1' HD11 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -95.98 37.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.051 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -159.66 -78.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.447 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 m -59.95 -39.69 86.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.382 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 t -52.53 -29.76 26.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.396 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.56 ' HZ3' HD12 ' A' ' 38' ' ' LEU . 9.1 m95 -110.24 12.07 23.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.567 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.576 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -56.86 -57.13 13.83 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.745 0.307 . . . . 0.0 111.252 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.845 ' CG ' HD23 ' A' ' 36' ' ' LEU . 18.7 p30 -89.36 8.76 29.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.353 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.86 33.36 87.04 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.636 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.925 HD21 ' CG ' ' A' ' 56' ' ' GLN . 1.4 mm? -75.0 -36.03 61.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.779 0.323 . . . . 0.0 111.131 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -64.4 -47.16 80.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.178 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.56 HD12 ' HZ3' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -65.45 -45.82 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.893 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.61 84.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.799 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.451 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -58.2 -39.38 78.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.075 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.87 -50.51 41.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.781 HG12 HD11 ' A' ' 50' ' ' LEU . 30.8 t -60.51 -49.65 83.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.249 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.426 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 75.5 t80 -56.46 -37.91 70.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.068 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -62.86 -41.35 99.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.547 HD23 ' CE2' ' A' ' 106' ' ' PHE . 3.9 mm? -73.78 -38.31 64.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.783 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.14 72.27 60.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.796 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.426 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 37.9 Cg_endo -66.48 -27.42 46.59 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.515 2.143 . . . . 0.0 111.941 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.19 0.12 88.76 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.622 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.0 mt -130.76 29.34 4.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.714 0.292 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.781 HD11 HG12 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -151.44 177.13 10.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.971 0.415 . . . . 0.0 111.113 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -163.48 63.06 1.19 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.495 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' GLN . 18.5 Cg_endo -58.67 -35.4 98.7 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.871 2.381 . . . . 0.0 112.676 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -54.28 -35.64 62.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.56 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.752 ' O ' HD13 ' A' ' 58' ' ' LEU . 5.2 tt0 -71.61 -49.93 35.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.472 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 63' ' ' ALA . 3.5 mt -81.41 -9.47 59.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.894 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.925 ' CG ' HD21 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -60.28 -33.63 72.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.632 0.253 . . . . 0.0 111.612 -179.085 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.16 -23.86 2.59 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.35 -0.928 . . . . 0.0 112.981 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.752 HD13 ' O ' ' A' ' 54' ' ' GLU . 1.8 mp -56.47 -35.41 67.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.862 0.363 . . . . 0.0 111.145 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.66 147.74 6.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.62 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.41 -54.93 5.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.818 0.342 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.59 -41.9 91.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.33 -46.92 84.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.516 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . . . -64.22 -43.58 94.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 83' ' ' ALA . 3.3 m -66.91 -50.71 61.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.006 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.58 96.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.602 ' O ' HG23 ' A' ' 70' ' ' VAL . 46.8 t90 -67.04 -39.0 86.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.835 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.64 -37.3 73.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.204 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.42 HD21 ' HB2' ' A' ' 79' ' ' PRO . 1.4 tp -64.67 -43.29 94.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.3 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -48.57 66.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.176 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 66' ' ' TRP . 26.7 t -68.53 -40.2 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.102 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.09 -44.93 79.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.032 0.444 . . . . 0.0 110.239 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.427 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 2.4 tt0 -69.83 -37.44 76.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.473 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -71.72 -41.43 68.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.579 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -81.18 -42.39 20.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.927 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -91.38 -34.87 14.7 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.803 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 89.29 27.42 23.01 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.223 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.892 HD11 ' HB3' ' A' ' 101' ' ' HIS . 11.2 tt -106.65 126.6 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.3 . . . . 0.0 111.16 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.05 130.21 83.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.448 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 71.9 Cg_endo -76.68 142.28 22.79 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.618 2.212 . . . . 0.0 112.505 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.607 ' O ' HG12 ' A' ' 80' ' ' VAL . 17.7 t -126.58 21.44 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 p -149.76 152.71 11.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -98.49 151.79 20.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.94 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.461 ' HA ' HG21 ' A' ' 64' ' ' THR . . . -60.41 -43.62 96.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -54.91 -40.2 69.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.225 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.88 79.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 82' ' ' SER . 39.1 t -67.68 -47.92 78.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.362 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 33' ' ' ALA . 12.5 p -61.34 -32.22 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.323 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.02 -13.63 52.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.585 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.36 24.15 36.62 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.608 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 p -107.54 42.87 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.955 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -158.2 70.24 3.93 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.99 -42.84 27.95 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.628 2.219 . . . . 0.0 112.298 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.32 -36.11 75.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.35 -42.91 33.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.454 HD21 ' CD2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -61.81 -43.17 99.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.303 . . . . 0.0 110.949 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.488 HG23 ' CD1' ' A' ' 9' ' ' LEU . 20.6 mt -67.79 -44.96 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.07 93.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.448 ' CE1' ' HA ' ' A' ' 79' ' ' PRO . 5.3 t80 -69.13 -38.59 78.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.556 HD11 ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -58.24 -35.06 71.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.0 m -60.03 -44.24 94.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.892 ' HB3' HD11 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -64.39 -45.0 89.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.802 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -40.59 96.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.742 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.433 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 34.0 t-80 -65.95 -45.96 79.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.0 t -59.59 -43.94 93.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.55 -44.35 64.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.547 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.4 m-85 -69.23 -27.84 65.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.976 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.83 0.347 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.53 -46.98 85.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 1.7 pt-20 -64.72 -31.43 72.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.962 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.523 ' CD2' HG23 ' A' ' 96' ' ' ILE . 55.0 tp -70.57 -48.49 55.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.916 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -34.87 78.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -65.57 -41.05 93.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.427 ' CH2' ' HG3' ' A' ' 16' ' ' GLN . 80.4 t90 -67.66 -44.88 76.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.2 t -59.79 -45.5 92.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.033 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -62.37 -37.5 85.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -45.73 80.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 24.5 mm-40 -66.99 -27.12 67.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.962 HG22 ' HB3' ' A' ' 40' ' ' ALA . 2.2 p -88.16 7.5 31.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.375 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.55 144.79 31.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.855 0.36 . . . . 0.0 111.051 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.55 -22.22 4.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.654 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 10.4 m-85 -92.11 132.65 31.92 Favored Pre-proline 0 C--N 1.33 -0.264 0 O-C-N 122.857 -0.202 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 18.4 Cg_exo -66.22 63.15 0.49 Allowed 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.597 2.198 . . . . 0.0 112.326 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.73 41.31 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.139 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 23' ' ' VAL . 14.8 p -90.06 120.77 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 0.0 111.191 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -129.85 78.78 1.87 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.577 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 t -113.76 88.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.239 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.21 22.37 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' A' ' 31' ' ' SER . 14.4 m-20 -138.12 148.98 45.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.644 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 mt -98.52 38.51 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.049 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 t -173.9 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.328 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -55.74 -26.45 45.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.65 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 14.9 t -68.43 -30.67 69.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.962 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 19.0 m95 -97.9 14.31 27.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.408 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.696 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -54.3 -57.41 11.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.835 0.35 . . . . 0.0 111.163 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.822 ' CG ' HD23 ' A' ' 36' ' ' LEU . 17.4 p30 -86.5 -0.25 55.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.248 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.29 37.23 70.93 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.542 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.859 HD21 ' HG2' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -75.03 -35.96 61.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.671 0.272 . . . . 0.0 111.334 -179.726 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.575 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -65.54 -47.44 75.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.824 0.345 . . . . 0.0 111.266 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -69.69 -38.55 77.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.41 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 2.9 m -67.49 -48.6 66.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.837 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.962 ' HB3' HG22 ' A' ' 17' ' ' THR . . . -55.63 -41.08 73.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.229 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 38' ' ' LEU . 13.2 mt -62.73 -50.21 71.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 38' ' ' LEU . 45.0 t -60.82 -48.97 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.43 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 58.6 t80 -55.46 -37.92 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.004 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -43.14 99.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.448 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.2 mm? -74.73 -40.31 61.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.728 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.82 78.58 14.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.594 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 59.0 Cg_endo -72.21 -28.61 15.31 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.609 2.206 . . . . 0.0 112.396 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.72 -34.65 72.64 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.561 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.559 ' O ' HD12 ' A' ' 50' ' ' LEU . 1.9 mt -95.5 22.02 7.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.652 0.263 . . . . 0.0 111.396 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -144.47 166.0 26.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.023 0.44 . . . . 0.0 111.198 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 3.2 mm-40 -156.99 49.4 0.38 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.509 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 17.9 Cg_endo -59.0 -18.39 42.83 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.708 2.272 . . . . 0.0 112.69 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.1 m -54.56 -44.64 73.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.028 0.442 . . . . 0.0 110.375 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.858 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -71.73 -50.04 33.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.761 179.475 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.569 HD23 ' OE1' ' A' ' 62' ' ' GLU . 1.4 mt -67.96 -9.97 49.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.684 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.859 ' HG2' HD21 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -60.67 -39.8 89.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.671 0.272 . . . . 0.0 111.057 -179.674 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.07 -9.94 6.49 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.88 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.858 HD12 ' O ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -68.5 -24.92 64.73 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.691 -0.299 . . . . 0.0 110.924 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.49 141.82 3.41 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.572 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.41 -59.56 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 111.002 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -37.51 82.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.569 ' OE1' HD23 ' A' ' 55' ' ' LEU . 10.2 tt0 -64.62 -42.67 95.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.96 -43.65 95.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -66.09 -50.48 63.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.214 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.6 ' O ' HG22 ' A' ' 70' ' ' VAL . 8.7 t90 -66.94 -47.88 70.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.02 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.3 84.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.32 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.35 -46.07 85.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.246 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.21 -48.46 73.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.16 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 66' ' ' TRP . 31.5 m -68.54 -39.37 80.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.284 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.87 -46.32 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.615 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 8.2 pt-20 -69.79 -36.96 76.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.461 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.404 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 1.5 m-80 -69.7 -41.0 75.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.541 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.83 -42.46 21.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 75' ' ' LEU . 6.6 mp -92.05 -32.24 15.26 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 89.11 28.68 19.81 Favored Glycine 0 CA--C 1.517 0.169 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.307 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.47 HG23 ' CE1' ' A' ' 101' ' ' HIS . 18.8 mt -107.41 123.62 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 111.13 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.4 m -74.77 129.06 84.28 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.6 149.75 38.37 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.465 2.11 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 80' ' ' VAL . 21.8 t -127.03 1.5 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.705 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.9 m -145.74 160.33 12.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.748 0.308 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.12 156.33 19.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.826 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.8 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -65.05 -43.57 91.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -63.93 -33.49 75.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.53 -46.25 70.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.423 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.765 HG23 ' CD2' ' A' ' 95' ' ' LEU . 9.1 p -70.34 -43.02 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.226 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 83' ' ' ALA . 48.5 t -64.34 -39.19 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 111.104 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.01 -13.49 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.462 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.69 30.31 76.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.546 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 p -98.54 31.1 2.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.55 71.35 2.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -62.0 -42.15 32.08 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.586 2.191 . . . . 0.0 112.232 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.8 mt -58.23 -36.22 72.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.64 -42.83 45.85 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.572 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.765 ' CD2' HG23 ' A' ' 86' ' ' VAL . 34.6 mt -60.1 -43.17 95.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 111.039 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.523 HG23 ' CD2' ' A' ' 9' ' ' LEU . 50.5 mt -67.88 -41.1 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.996 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.12 96.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -69.1 -41.47 77.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.38 -33.25 70.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.762 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t -62.99 -36.73 84.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.785 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.47 ' CE1' HG23 ' A' ' 77' ' ' ILE . 4.3 t-80 -70.31 -39.11 75.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.745 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.404 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 13.3 m-85 -68.14 -38.19 81.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -63.39 -48.49 77.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.2 m -59.36 -37.52 78.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.91 -40.57 39.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.448 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.2 m-85 -65.68 -31.59 72.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.691 0.281 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -46.8 86.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.21 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 3.8 pt-20 -65.62 -31.59 72.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.138 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 9' ' ' LEU . 11.0 mt -67.43 -48.53 67.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.056 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -34.9 76.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.062 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -66.0 -40.74 91.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -67.6 -44.14 78.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.225 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.785 ' SG ' HD21 ' A' ' 99' ' ' LEU . 1.8 m -60.59 -45.6 93.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.076 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -66.18 -39.11 89.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.083 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.34 -45.57 79.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.805 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -68.74 -33.62 74.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.078 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.757 ' HB ' HG21 ' A' ' 25' ' ' VAL . 55.5 m -90.73 7.43 39.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.537 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.11 125.37 30.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.737 0.303 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.6 -32.34 2.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.675 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 47.7 m-85 -76.82 121.31 84.58 Favored Pre-proline 0 C--N 1.33 -0.27 0 O-C-N 122.863 -0.198 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 20.3 Cg_exo -65.73 117.23 4.45 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.489 2.126 . . . . 0.0 112.249 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.27 -26.94 15.2 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.417 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.44 120.49 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.976 0.417 . . . . 0.0 111.149 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.49 86.39 2.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.696 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.757 HG21 ' HB ' ' A' ' 17' ' ' THR . 21.5 t -73.37 94.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.51 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.66 19.97 0.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -138.37 137.25 37.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.699 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 mt -94.27 36.74 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 t -163.5 -70.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.037 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -33.42 75.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 t -55.6 -24.17 31.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.439 ' CD1' ' N ' ' A' ' 32' ' ' TRP . 3.8 m95 -107.53 9.5 29.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.417 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.694 ' HA ' HG13 ' A' ' 87' ' ' VAL . . . -54.64 -60.92 2.7 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.747 0.308 . . . . 0.0 111.332 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.842 ' CG ' HD23 ' A' ' 36' ' ' LEU . 23.9 p30 -83.72 3.03 34.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.335 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.38 30.51 66.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.708 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.842 HD23 ' CG ' ' A' ' 34' ' ' ASP . 1.4 mm? -74.93 -35.15 62.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.855 0.36 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.71 -47.11 67.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.338 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -64.66 -46.11 83.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.051 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 79.0 m -69.21 -34.06 74.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.805 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.617 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -59.96 -40.88 90.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 18.5 mt -70.21 -51.56 30.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 38' ' ' LEU . 36.5 t -58.99 -43.35 88.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.446 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 68.8 t80 -60.15 -37.95 81.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -40.77 98.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.497 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.4 mm? -79.22 -46.35 18.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.857 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.68 79.99 51.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.662 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.446 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 48.6 Cg_endo -68.84 -29.42 28.58 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.543 2.162 . . . . 0.0 112.501 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.91 -32.59 66.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.651 ' O ' HD22 ' A' ' 50' ' ' LEU . 2.7 mm? -97.19 25.2 5.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.61 0.243 . . . . 0.0 111.171 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.651 HD22 ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -148.02 166.91 26.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 111.074 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -154.06 61.21 3.26 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.591 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.437 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 9.4 Cg_endo -51.85 -34.52 55.64 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.911 2.407 . . . . 0.0 112.404 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.13 -48.31 70.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.863 ' O ' HD12 ' A' ' 58' ' ' LEU . 15.0 mt-10 -71.7 -50.21 32.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.225 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.612 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 44.5 mt -64.61 -14.21 56.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.749 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.83 ' CG ' HD21 ' A' ' 36' ' ' LEU . 2.1 tt0 -63.54 -39.79 95.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.56 -8.15 21.38 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.205 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.863 HD12 ' O ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -58.91 -31.55 68.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.823 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.23 155.74 6.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.525 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.87 -60.07 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.72 -37.53 82.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -46.77 67.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.053 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -64.34 -43.79 93.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.28 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.794 HG22 HD12 ' A' ' 68' ' ' LEU . 10.2 m -67.2 -49.41 64.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.61 94.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.358 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.605 ' O ' HG12 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -66.88 -50.16 63.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 111.127 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.581 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -63.18 -40.78 98.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.37 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.794 HD12 HG22 ' A' ' 64' ' ' THR . 7.0 mt -64.83 -42.25 95.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.169 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.53 -48.26 61.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.224 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 66' ' ' TRP . 14.4 p -68.49 -43.55 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.152 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.459 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -55.26 -44.08 75.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.011 0.434 . . . . 0.0 110.288 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.447 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 8.2 tt0 -69.8 -37.27 76.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.417 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -70.9 -41.38 71.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.479 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -80.99 -42.38 21.28 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.83 -40.83 9.53 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 103.84 17.06 17.66 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.624 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.1 mt -95.01 112.31 27.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.808 0.337 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.4 t -74.24 134.05 77.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.035 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.05 147.45 53.19 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.392 2.061 . . . . 0.0 112.322 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.2 -15.47 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.562 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 82' ' ' SER . 11.1 p -139.53 158.51 27.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.736 0.303 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.522 ' O ' HG23 ' A' ' 86' ' ' VAL . 8.6 t -77.34 150.01 35.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -63.32 -43.59 97.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -36.52 74.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.479 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -66.81 -45.21 79.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 82' ' ' SER . 21.7 t -62.27 -51.07 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.694 HG13 ' HA ' ' A' ' 33' ' ' ALA . 26.1 t -62.75 -35.0 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.31 53.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.57 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.27 27.98 61.1 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.592 -0.814 . . . . 0.0 112.538 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 m -102.26 31.18 4.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.479 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 14.9 m-20 -159.39 63.54 2.27 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.1 -42.32 65.57 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.536 2.158 . . . . 0.0 112.397 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -36.25 72.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.54 -39.71 68.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.556 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.03 -41.61 92.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.1 mm -67.74 -41.25 85.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.061 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.69 95.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -69.23 -45.08 70.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.785 HD21 ' SG ' ' A' ' 13' ' ' CYS . 1.3 mt -59.41 -38.43 80.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -60.54 -36.83 79.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -73.58 -39.73 64.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.003 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -41.44 85.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -66.01 -41.66 90.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.51 -43.88 96.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.045 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.27 -44.36 59.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.497 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.9 m-85 -65.81 -24.2 66.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.103 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.057 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.814 0.34 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -62.56 -46.93 86.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.48 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 3.1 pt-20 -63.67 -31.68 72.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.034 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.537 HD13 HG23 ' A' ' 96' ' ' ILE . 72.4 mt -70.42 -48.63 55.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -63.65 -39.84 95.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -59.67 -44.41 93.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.011 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.504 ' CZ2' ' CD2' ' A' ' 103' ' ' HIS . 80.5 t90 -65.01 -42.92 94.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.572 ' SG ' HD11 ' A' ' 99' ' ' LEU . 0.7 OUTLIER -60.04 -45.41 92.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.966 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -61.34 -35.2 76.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -45.56 80.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 37.5 mm-40 -69.26 -30.65 68.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.717 HG23 ' CB ' ' A' ' 40' ' ' ALA . 59.0 m -95.78 7.44 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.513 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.02 125.28 30.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.66 -27.74 1.48 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.582 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -88.95 121.37 69.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.448 0.166 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -62.7 122.44 10.77 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.47 2.114 . . . . 0.0 112.295 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.43 -27.18 16.1 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.351 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.5 t -78.95 120.54 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.062 0.458 . . . . 0.0 111.059 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.47 72.12 1.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.512 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.449 HG21 HG21 ' A' ' 17' ' ' THR . 21.7 t -63.77 92.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.444 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.418 ' HA ' HD22 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -150.1 20.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.667 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -138.22 140.86 39.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.1 mt -96.65 37.84 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.027 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 m -166.58 -76.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.276 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -44.9 79.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.372 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.95 -29.02 55.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.343 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -93.72 0.31 56.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.546 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.715 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -51.0 -64.56 0.77 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.772 0.32 . . . . 0.0 111.43 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' CG ' HD23 ' A' ' 36' ' ' LEU . 15.0 p30 -79.94 -2.61 44.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.296 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.3 35.59 63.64 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.612 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.446 HD23 ' CG ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -69.12 -46.74 66.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.736 0.303 . . . . 0.0 111.15 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.08 86.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.51 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 42' ' ' VAL . 4.0 tp -64.08 -46.05 86.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.297 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.12 -45.17 86.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.205 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.717 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -56.99 -47.2 81.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.367 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' HD23 ' A' ' 45' ' ' LEU . 13.3 mt -59.57 -52.21 66.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.16 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 38' ' ' LEU . 23.6 t -58.01 -39.61 72.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.272 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.454 ' CG ' ' HG3' ' A' ' 52' ' ' PRO . 23.8 t80 -58.63 -45.27 89.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.21 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -35.61 80.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.947 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.419 ' HG ' ' CE1' ' A' ' 106' ' ' PHE . 4.4 mm? -77.97 -40.77 38.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.919 0.39 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -137.43 69.94 53.88 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.772 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.5 -25.82 34.82 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.554 2.17 . . . . 0.0 112.256 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.17 -4.74 90.12 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.796 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.889 ' O ' HD22 ' A' ' 50' ' ' LEU . 8.2 mt -136.33 31.74 2.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.809 0.304 . . . . 0.0 111.174 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.889 HD22 ' O ' ' A' ' 49' ' ' LEU . 2.1 mm? -141.99 161.53 37.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.967 0.413 . . . . 0.0 111.246 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -146.79 64.98 9.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.297 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.454 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 14.7 Cg_endo -56.44 -49.76 14.01 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.955 2.437 . . . . 0.0 112.655 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.4 m -53.91 -29.85 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.211 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.846 ' O ' HD13 ' A' ' 58' ' ' LEU . 2.7 tt0 -71.62 -50.38 31.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.348 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 3.7 mm? -84.47 -9.7 58.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.921 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -60.48 -37.32 80.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.58 -26.56 3.08 Favored Glycine 0 N--CA 1.454 -0.135 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.864 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.846 HD13 ' O ' ' A' ' 54' ' ' GLU . 2.2 mp -50.35 -35.3 27.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 0.0 111.354 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.48 150.17 6.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.727 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.715 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -77.39 -57.98 3.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.739 0.304 . . . . 0.0 111.06 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.493 HD23 HG21 ' A' ' 87' ' ' VAL . 89.5 mt -58.57 -37.69 76.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -41.68 83.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.97 -42.49 97.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.2 m -66.84 -50.67 61.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.55 96.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.028 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.669 ' O ' HG12 ' A' ' 70' ' ' VAL . 22.0 t90 -66.97 -41.07 87.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.425 ' HA ' HG12 ' A' ' 70' ' ' VAL . . . -67.61 -39.21 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.205 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.03 -43.54 92.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.018 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -68.38 -48.22 65.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 66' ' ' TRP . 12.1 p -68.35 -40.69 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.026 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.41 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -55.47 -44.85 76.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.051 0.453 . . . . 0.0 110.335 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.486 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 0.3 OUTLIER -69.85 -37.5 76.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.432 179.3 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -69.87 -41.04 75.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.305 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.03 -42.27 21.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.126 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.2 mp -100.78 -44.16 5.88 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 110.0 15.17 12.15 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.642 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.419 HG23 ' CD2' ' A' ' 101' ' ' HIS . 20.5 mt -86.06 115.15 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 111.064 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 m -74.08 129.53 84.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.07 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.91 138.51 77.88 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.509 2.139 . . . . 0.0 112.33 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.1 t -116.65 -19.9 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.531 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 82' ' ' SER . 20.4 t -131.69 159.5 43.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.772 0.32 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.776 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -84.0 157.96 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.893 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.62 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -65.1 -43.6 91.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -55.71 -46.35 77.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.033 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.71 91.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 82' ' ' SER . 29.7 t -69.16 -51.03 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 83' ' ' ALA . 24.8 t -62.57 -34.91 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.177 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.65 -13.44 51.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.512 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 56.73 33.58 63.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.523 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.12 38.74 1.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.359 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -164.02 74.16 1.71 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -61.94 -42.73 28.85 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.517 2.144 . . . . 0.0 112.338 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.53 -41.22 89.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.48 -39.63 60.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.535 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -59.98 -42.41 94.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.537 HG23 HD13 ' A' ' 9' ' ' LEU . 15.2 mt -67.55 -41.11 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.67 85.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.44 ' CE2' ' CE1' ' A' ' 102' ' ' PHE . 2.9 t80 -65.44 -41.81 93.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.822 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.572 HD11 ' SG ' ' A' ' 13' ' ' CYS . 4.8 tp -58.78 -32.98 69.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.037 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.6 t -61.88 -45.77 92.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.419 ' CD2' HG23 ' A' ' 77' ' ' ILE . 1.8 t-80 -62.44 -45.26 93.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.44 ' CE1' ' CE2' ' A' ' 98' ' ' TYR . 4.9 m-85 -66.64 -45.49 78.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.504 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 19.0 t-160 -64.13 -51.25 64.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -29.41 70.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.03 -37.87 45.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.281 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.419 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 12.2 m-85 -80.65 -36.61 32.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.157 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.1 tttp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.014 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.768 0.318 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.72 -46.92 85.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -66.49 -31.57 72.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.99 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tp -66.43 -48.48 69.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -34.82 76.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -64.4 -40.8 96.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.428 ' CH2' ' HA ' ' A' ' 103' ' ' HIS . 78.0 t90 -67.75 -42.53 81.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.039 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.69 -45.38 93.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -62.16 -40.58 96.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.002 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -66.25 -45.74 79.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.799 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -67.4 -29.27 68.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.712 HG23 ' CB ' ' A' ' 40' ' ' ALA . 58.7 m -88.3 7.5 31.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.346 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.9 129.95 34.79 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.801 0.334 . . . . 0.0 111.079 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.67 -24.8 1.65 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.601 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.46 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 11.9 m-85 -89.75 121.34 69.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.473 0.178 . . . . 0.0 110.763 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 17.3 Cg_exo -67.03 62.26 0.62 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.638 2.225 . . . . 0.0 112.618 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.93 38.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.446 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.604 HG23 HD12 ' A' ' 36' ' ' LEU . 12.6 p -121.85 120.68 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.966 0.412 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 44.7 m170 -110.62 107.86 17.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.6 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.513 HG21 HG21 ' A' ' 17' ' ' THR . 21.3 t -113.13 90.77 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.486 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.11 20.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.034 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -138.52 142.03 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.677 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.1 mt -95.07 37.12 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 t -167.3 -76.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.015 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.6 t -58.37 -21.4 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.307 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 t -68.13 -24.59 65.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.658 ' HH2' HD11 ' A' ' 99' ' ' LEU . 3.4 m95 -107.84 16.62 23.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.271 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.847 ' HA ' HG13 ' A' ' 87' ' ' VAL . . . -55.38 -60.27 3.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.761 0.315 . . . . 0.0 111.092 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' OD2' HD23 ' A' ' 36' ' ' LEU . 31.7 p30 -86.47 5.99 32.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.206 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 39' ' ' CYS . . . 73.85 28.96 63.85 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.604 HD12 HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -69.34 -44.48 71.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.815 0.34 . . . . 0.0 111.195 -179.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.452 ' HB3' ' CD2' ' A' ' 32' ' ' TRP . . . -68.85 -47.09 66.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.785 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.642 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.1 mt -61.83 -46.66 88.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.395 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -71.62 -38.29 70.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.841 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.712 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -58.31 -38.39 77.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.805 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 37' ' ' ALA . 5.6 mt -69.94 -51.33 33.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.763 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 38' ' ' LEU . 32.6 t -59.03 -44.39 91.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.065 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.417 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 91.3 t80 -59.3 -37.92 78.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.982 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -41.18 99.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.666 HD23 ' CZ ' ' A' ' 106' ' ' PHE . 2.8 mm? -75.46 -37.4 60.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -140.81 77.72 21.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 48.7 Cg_endo -68.77 -16.14 41.43 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.607 2.204 . . . . 0.0 112.37 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.88 -20.08 51.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.776 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.548 ' O ' HD22 ' A' ' 50' ' ' LEU . 25.4 mt -116.17 28.15 8.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 0.0 111.24 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.548 HD22 ' O ' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -142.99 165.83 26.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.994 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -152.8 63.56 4.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.697 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -56.2 -30.43 79.81 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.874 2.383 . . . . 0.0 112.508 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.9 t -59.6 -42.46 92.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.941 ' O ' HD12 ' A' ' 58' ' ' LEU . 6.8 mt-10 -71.71 -50.44 30.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.388 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.8 HD12 ' HA ' ' A' ' 63' ' ' ALA . 3.5 mm? -68.81 -10.26 55.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.731 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.513 ' CG ' HD21 ' A' ' 36' ' ' LEU . 1.3 tm0? -64.23 -39.99 95.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.744 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.79 -11.41 11.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.979 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.941 HD12 ' O ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -57.44 -28.47 63.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.705 0.288 . . . . 0.0 110.677 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.69 169.72 13.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.71 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.76 -63.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 111.002 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.483 HD21 ' HG2' ' A' ' 84' ' ' GLN . 2.7 mm? -58.79 -37.57 76.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.3 -45.69 83.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.8 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -63.8 -43.64 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.585 HG21 ' HA ' ' A' ' 83' ' ' ALA . 2.8 m -67.34 -49.82 62.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.7 98.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.265 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.56 ' O ' HG22 ' A' ' 70' ' ' VAL . 5.5 t90 -67.06 -49.94 63.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.8 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.401 ' HA ' HG22 ' A' ' 70' ' ' VAL . . . -61.98 -38.61 89.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.475 HD22 ' HB3' ' A' ' 79' ' ' PRO . 17.8 mt -66.51 -39.11 88.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -48.41 54.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.981 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 66' ' ' TRP . 30.3 m -68.46 -46.1 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.022 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.497 ' N ' HG23 ' A' ' 70' ' ' VAL . . . -55.25 -44.35 75.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.127 0.489 . . . . 0.0 110.277 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -69.56 -37.22 76.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.366 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -69.75 -41.14 75.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.411 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -80.85 -42.41 21.59 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.5 -34.95 15.37 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.76 29.68 12.94 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.299 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.3 mt -109.74 121.56 62.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.347 . . . . 0.0 111.093 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 m -76.53 124.13 87.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.475 ' HB3' HD22 ' A' ' 68' ' ' LEU . 51.9 Cg_exo -54.72 140.14 77.05 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.499 2.132 . . . . 0.0 112.228 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.591 ' O ' HG12 ' A' ' 80' ' ' VAL . 21.6 t -115.73 8.15 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.447 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.7 p -149.07 146.22 17.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.826 0.346 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.525 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.9 OUTLIER -75.71 148.17 38.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.585 ' HA ' HG21 ' A' ' 64' ' ' THR . . . -58.99 -43.55 91.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.483 ' HG2' HD21 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -55.49 -43.67 75.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.069 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -62.85 -39.39 94.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.051 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.546 HG13 ' CD2' ' A' ' 95' ' ' LEU . 38.2 t -63.93 -46.88 92.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.297 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.847 HG13 ' HA ' ' A' ' 33' ' ' ALA . 33.1 t -73.44 -37.88 51.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.453 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.96 -13.48 53.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.642 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.37 35.76 73.27 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.422 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.7 p -84.89 -25.6 27.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.712 0.292 . . . . 0.0 111.163 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.509 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 1.8 m-20 -117.39 80.47 12.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.994 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.61 -43.02 48.47 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.531 2.154 . . . . 0.0 112.098 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -36.32 76.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.98 -41.17 88.27 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.525 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 99' ' ' LEU . 1.7 mt -61.81 -43.26 99.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.309 . . . . 0.0 110.931 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.92 -41.2 84.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.54 77.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.301 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.454 ' CE1' ' HA ' ' A' ' 79' ' ' PRO . 1.3 t80 -69.16 -39.92 78.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.658 HD11 ' HH2' ' A' ' 32' ' ' TRP . 3.6 mm? -62.37 -32.44 73.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.989 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -38.16 86.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -44.95 70.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.67 -34.38 75.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.428 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 64.5 t-80 -62.06 -42.8 99.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.1 p -63.74 -41.18 98.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.19 90.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.666 ' CZ ' HD23 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.8 -37.87 87.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.1 tptt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.774 0.321 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.67 -44.73 95.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.24 -39.94 96.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.2 mt -59.88 -41.05 90.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.738 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.709 HD21 ' HG ' ' A' ' 28' ' ' LEU . 3.0 mm? -63.49 -40.95 98.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.732 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -59.72 -41.14 90.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.815 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -67.77 -41.72 82.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.054 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 59.9 m -63.99 -45.65 88.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.259 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.47 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 3.8 pt20 -62.01 -35.08 77.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.059 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.18 -45.77 79.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.701 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -74.31 -27.95 60.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.899 HG22 ' HB3' ' A' ' 40' ' ' ALA . 33.2 p -89.02 7.48 34.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.384 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.96 125.41 30.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.772 0.32 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.77 -25.42 2.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.618 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.851 ' O ' HG12 ' A' ' 23' ' ' VAL . 6.7 m-85 -90.9 121.51 67.95 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.489 0.185 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.99 98.49 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.426 2.084 . . . . 0.0 112.391 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.67 -8.08 9.45 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.717 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.851 HG12 ' O ' ' A' ' 20' ' ' TYR . 11.4 p -78.32 120.69 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 111.142 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -132.45 64.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.5 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.656 HG21 HG21 ' A' ' 17' ' ' THR . 21.6 t -67.41 93.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.345 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.485 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -147.42 20.68 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.688 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -138.44 143.49 39.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.621 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.709 ' HG ' HD21 ' A' ' 10' ' ' LEU . 8.4 mt -97.07 38.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.02 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -161.27 -76.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.276 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.3 t -61.14 -43.38 98.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.406 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.89 -25.48 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.453 -179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.828 ' CH2' HD21 ' A' ' 99' ' ' LEU . 18.5 m95 -101.63 -0.91 33.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.625 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.577 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -54.1 -60.21 3.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.741 0.305 . . . . 0.0 111.318 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.829 ' CG ' HD23 ' A' ' 36' ' ' LEU . 24.4 p30 -79.46 -3.62 47.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.219 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.85 33.5 60.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.626 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.91 HD21 ' HG2' ' A' ' 56' ' ' GLN . 1.3 mm? -75.05 -42.86 56.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.659 0.266 . . . . 0.0 111.232 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.35 -47.49 83.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 0.0 111.21 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 42' ' ' VAL . 16.3 mt -66.06 -46.05 79.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.704 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.415 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 4.9 m -61.56 -46.23 90.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.021 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.899 ' HB3' HG22 ' A' ' 17' ' ' THR . . . -55.2 -40.56 70.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.04 -52.52 62.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 38' ' ' LEU . 14.8 t -59.18 -49.62 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.25 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.417 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 68.8 t80 -55.41 -38.01 68.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.095 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -42.44 99.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.797 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.439 HD23 ' CE2' ' A' ' 106' ' ' PHE . 3.9 mm? -74.12 -34.71 64.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -151.21 80.93 6.3 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.774 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 56.7 Cg_endo -70.49 -37.3 7.59 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.515 2.143 . . . . 0.0 112.471 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.68 -34.53 89.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.852 ' O ' HD22 ' A' ' 50' ' ' LEU . 3.0 mm? -94.57 20.94 7.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.52 0.2 . . . . 0.0 111.209 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.852 HD22 ' O ' ' A' ' 49' ' ' LEU . 1.2 mm? -142.95 168.39 19.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.008 0.432 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 20.2 mt-10 -161.19 48.11 0.23 Allowed Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.612 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 20.5 Cg_endo -60.19 -16.86 42.71 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.695 2.263 . . . . 0.0 112.694 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.9 m -54.94 -42.2 72.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.502 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.7 -50.13 33.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.094 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' A' ' 63' ' ' ALA . 1.8 mt -71.88 -9.79 58.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.793 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.91 ' HG2' HD21 ' A' ' 36' ' ' LEU . 1.7 tt0 -60.49 -31.21 70.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 111.19 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.7 3.94 5.4 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.922 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.34 -27.07 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 111.023 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.85 140.49 3.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.53 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.577 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -74.23 -59.8 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 111.043 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.785 ' HG ' HG21 ' A' ' 87' ' ' VAL . 5.8 mt -60.76 -37.83 83.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -62.46 -46.82 86.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . . . -65.55 -42.09 92.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -50.73 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.052 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.13 -43.53 87.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.764 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -66.87 -48.0 70.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.91 -46.58 90.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.37 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.84 -46.13 86.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -64.36 -48.18 76.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.209 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 66' ' ' TRP . 38.5 t -68.39 -38.48 79.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.23 -46.45 75.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 110.764 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.475 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 13.8 pt-20 -70.19 -37.23 75.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.566 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.37 -41.35 76.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.338 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -42.47 20.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.986 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.4 -53.57 3.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 110.64 26.0 4.96 Favored Glycine 0 CA--C 1.517 0.158 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.281 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.2 mm -82.77 130.53 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.728 0.299 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.1 m -74.07 115.07 39.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.779 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.29 149.23 74.68 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.542 2.161 . . . . 0.0 112.278 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 80' ' ' VAL . 15.8 t -141.55 17.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.301 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.3 m -149.75 160.44 4.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.842 0.353 . . . . 0.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.876 ' O ' HG23 ' A' ' 86' ' ' VAL . 29.0 t -112.43 150.37 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.788 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.67 ' HB1' HD23 ' A' ' 61' ' ' LEU . . . -59.74 -43.5 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.167 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.31 -44.76 80.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.613 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.5 -38.36 80.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 82' ' ' SER . 25.8 t -66.66 -51.08 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.785 HG21 ' HG ' ' A' ' 61' ' ' LEU . 25.4 t -62.74 -31.19 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.205 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.21 -13.54 49.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.576 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.1 32.14 66.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.57 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.45 41.39 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.613 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -152.49 61.9 4.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.08 -42.8 27.59 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.609 2.206 . . . . 0.0 112.209 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.4 mt -58.55 -40.25 82.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.32 -37.4 90.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.371 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.414 ' O ' HD23 ' A' ' 99' ' ' LEU . 5.8 mp -60.82 -42.15 97.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.716 0.293 . . . . 0.0 110.786 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.6 mm -66.78 -44.27 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.067 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.76 90.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -68.94 -47.72 65.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.828 HD21 ' CH2' ' A' ' 32' ' ' TRP . 2.9 mm? -59.81 -34.06 72.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.827 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.1 t -63.03 -36.9 85.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.87 -39.31 61.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.766 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.408 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -67.46 -43.29 81.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.764 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.89 -48.2 82.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 m -57.94 -43.69 86.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.66 -37.37 73.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.439 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.67 -27.94 68.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.688 ' NE2' HD13 ' A' ' 28' ' ' LEU . 6.6 mt-30 . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.749 0.309 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.56 -46.9 86.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.309 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 6.9 pt-20 -67.86 -31.74 71.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.989 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 17.6 tp -72.02 -44.8 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.067 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 26' ' ' SER . 5.0 tt -63.5 -45.91 88.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.16 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -60.82 -39.88 90.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.063 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.443 ' CD2' ' CD2' ' A' ' 103' ' ' HIS . 60.9 t90 -61.98 -40.01 94.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.5 m -69.13 -45.55 69.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -36.8 84.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -66.28 -45.67 79.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.722 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -69.71 -30.6 68.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 40' ' ' ALA . 10.3 m -92.81 7.51 43.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.492 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.99 125.36 29.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.74 0.305 . . . . 0.0 111.028 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.3 -38.52 1.76 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.53 ' CE1' ' HB1' ' A' ' 40' ' ' ALA . 62.2 m-85 -67.51 127.15 93.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.529 0.204 . . . . 0.0 110.773 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.99 110.33 2.9 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.429 2.086 . . . . 0.0 112.473 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.44 -25.05 16.33 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.404 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.592 ' CG2' HD12 ' A' ' 36' ' ' LEU . 16.2 t -79.16 120.67 30.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 0.0 111.148 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -127.68 83.81 2.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.785 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.607 ' CG2' HG21 ' A' ' 17' ' ' THR . 21.7 t -77.31 103.73 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.277 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.441 ' HA ' HD21 ' A' ' 10' ' ' LEU . 5.9 m -151.06 22.85 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.956 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -138.13 147.81 44.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.688 HD13 ' NE2' ' A' ' 6' ' ' GLN . 1.2 mt -97.15 37.91 1.29 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t -174.88 -77.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.32 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.1 m -54.05 -28.8 41.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.581 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -27.04 67.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.085 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.617 ' CH2' HD21 ' A' ' 99' ' ' LEU . 29.1 m95 -96.01 13.27 27.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.545 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.64 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -57.91 -55.82 29.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.858 ' CG ' HD23 ' A' ' 36' ' ' LEU . 14.4 p30 -87.68 6.97 32.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.274 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.86 33.56 87.35 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.701 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.914 HD21 ' HG2' ' A' ' 56' ' ' GLN . 1.9 mm? -74.84 -41.53 59.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 111.276 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.414 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -62.26 -47.27 85.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.244 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.3 tp -68.27 -42.08 80.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.739 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 3.1 m -64.03 -47.39 80.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.735 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -55.66 -42.22 74.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.223 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 38' ' ' LEU . 11.4 mt -60.69 -52.36 65.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 38' ' ' LEU . 18.0 t -60.99 -45.68 98.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.237 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -55.09 -38.04 67.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -66.84 -42.01 86.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.65 HD23 ' CZ ' ' A' ' 106' ' ' PHE . 3.8 mm? -78.26 -31.46 49.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.246 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -144.67 68.62 14.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.017 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.82 -27.55 21.3 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.535 2.157 . . . . 0.0 112.136 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.27 -4.89 89.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.746 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.6 mt -129.56 26.29 5.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.814 0.307 . . . . 0.0 111.207 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.53 HD13 HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -147.6 154.47 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.994 0.426 . . . . 0.0 111.008 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 2.3 mm-40 -141.44 47.22 0.97 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.781 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 18.8 Cg_endo -58.91 -17.36 36.67 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.611 2.207 . . . . 0.0 112.714 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -57.17 -44.27 83.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.982 0.42 . . . . 0.0 110.62 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -71.68 -50.12 33.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.899 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 51' ' ' GLU . 3.3 mp -70.29 -9.9 57.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.721 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.914 ' HG2' HD21 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -60.47 -33.63 72.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.736 0.303 . . . . 0.0 111.106 -179.497 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.6 4.73 6.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.753 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -27.28 24.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.0 125.14 0.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.655 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -60.31 -59.46 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.046 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.04 -37.64 85.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.79 -45.87 92.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.9 95.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.217 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.404 ' HB ' ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -67.2 -50.68 59.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.992 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.44 97.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.656 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -66.89 -40.12 87.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.012 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.54 -39.63 73.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.32 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 79' ' ' PRO . 0.5 OUTLIER -63.88 -41.02 97.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.201 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.86 -48.46 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.331 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 66' ' ' TRP . 32.3 m -68.28 -44.94 83.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.451 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.479 ' N ' HG23 ' A' ' 70' ' ' VAL . . . -55.32 -46.09 76.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.974 0.416 . . . . 0.0 110.393 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.487 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 1.3 tt0 -69.86 -37.57 76.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.358 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.6 -41.26 79.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.502 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -42.39 21.27 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.66 -40.34 8.65 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 96.77 26.56 10.45 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.429 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.9 tt -81.88 127.78 39.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.822 0.344 . . . . 0.0 111.199 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 t -74.14 115.13 39.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.415 ' HB3' HD21 ' A' ' 68' ' ' LEU . 50.2 Cg_exo -53.58 141.03 64.49 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.408 2.072 . . . . 0.0 112.339 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.82 -13.98 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.504 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.449 HG11 ' HA3' ' A' ' 94' ' ' GLY . 10.7 m -147.07 160.48 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 111.062 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.676 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.3 m -86.27 158.98 19.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -64.34 -43.76 93.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -57.27 -41.62 80.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.57 96.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 82' ' ' SER . 28.3 t -64.24 -51.01 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 33' ' ' ALA . 27.8 t -62.26 -31.37 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.256 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.74 -13.6 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.618 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.49 36.75 64.69 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.528 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.93 30.89 6.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 0.0 110.869 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -150.53 64.45 6.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -57.07 -42.89 58.95 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.64 2.227 . . . . 0.0 112.192 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.32 -36.89 85.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.449 ' HA3' HG11 ' A' ' 81' ' ' VAL . . . -71.51 -39.59 60.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.614 ' O ' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -60.61 -43.2 97.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.948 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.9 mt -67.76 -41.22 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.015 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.51 92.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.92 -41.99 86.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.764 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.617 HD21 ' CH2' ' A' ' 32' ' ' TRP . 3.5 mm? -60.8 -33.88 73.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.822 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.6 p -60.12 -36.96 78.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.5 -48.03 43.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -32.78 73.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.715 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.443 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 5.6 t-80 -60.69 -50.56 72.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.998 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -34.83 78.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.037 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.98 -44.49 84.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.043 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.65 ' CZ ' HD23 ' A' ' 45' ' ' LEU . 3.3 m-85 -66.0 -33.45 75.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.846 0.355 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -64.18 -46.76 82.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.36 -40.44 97.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.446 ' HB3' HD22 ' A' ' 99' ' ' LEU . 48.8 mt -66.54 -39.03 88.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.32 -45.5 91.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -59.8 -44.39 94.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.018 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -67.52 -36.74 81.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.51 -45.45 75.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.291 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 15' ' ' GLU . 5.1 pt20 -65.73 -35.42 80.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.152 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 1.4 tp10 -66.32 -45.73 79.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.379 . . . . 0.0 110.743 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.593 ' HB3' HD23 ' A' ' 41' ' ' LEU . 29.5 mm100 -65.38 -31.93 73.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.044 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.835 HG23 ' CB ' ' A' ' 40' ' ' ALA . 31.1 m -91.52 7.43 41.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.538 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.96 125.44 32.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.19 -15.96 2.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.777 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.401 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . 11.2 m-85 -94.65 121.69 62.5 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.621 0.21 . . . . 0.0 110.752 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.64 60.98 1.65 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.572 2.181 . . . . 0.0 112.739 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.91 37.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.958 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.518 ' CG2' HD12 ' A' ' 36' ' ' LEU . 24.5 t -140.54 120.95 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.249 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -117.32 119.24 34.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.665 HG21 ' CB ' ' A' ' 17' ' ' THR . 16.1 t -105.44 38.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.54 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t -96.43 19.89 11.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 111.12 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -138.15 138.06 38.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.24 36.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.133 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -164.19 -76.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 111.076 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -56.24 -27.22 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.388 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.424 ' OG ' ' CD1' ' A' ' 32' ' ' TRP . 4.1 p -68.38 -29.93 68.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.848 0.356 . . . . 0.0 111.042 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.539 ' CE2' HD21 ' A' ' 95' ' ' LEU . 7.5 m95 -98.07 4.76 49.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.398 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.604 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -51.79 -64.77 0.71 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.698 0.285 . . . . 0.0 111.308 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.852 ' CG ' HD23 ' A' ' 36' ' ' LEU . 18.5 p30 -79.42 -2.19 40.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.345 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.28 32.24 52.53 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.577 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.852 HD23 ' CG ' ' A' ' 34' ' ' ASP . 1.6 mm? -73.08 -41.57 63.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 111.029 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.36 -47.17 87.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.101 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.649 HD21 ' HE2' ' A' ' 98' ' ' TYR . 0.2 OUTLIER -63.77 -46.02 87.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -33.38 73.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.835 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -59.6 -43.28 93.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.986 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.593 HD23 ' HB3' ' A' ' 16' ' ' GLN . 3.3 mt -70.22 -52.56 22.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.253 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 38' ' ' LEU . 32.4 t -59.25 -48.0 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.017 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.449 ' CG ' ' HG3' ' A' ' 52' ' ' PRO . 90.0 t80 -56.55 -37.71 70.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.945 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -43.2 99.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.622 HD22 HD11 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -76.06 -42.47 47.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.699 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -144.17 81.66 11.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.513 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 63.0 Cg_endo -73.78 -35.24 4.63 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.582 2.188 . . . . 0.0 112.302 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.86 -20.95 70.97 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.358 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.3 mm? -91.63 -8.92 45.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.647 HD21 ' HB ' ' A' ' 70' ' ' VAL . 5.1 mp -148.62 131.79 16.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.92 0.39 . . . . 0.0 111.479 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.47 81.51 0.45 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.502 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 19.0 Cg_endo -57.91 -37.99 94.05 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.8 2.334 . . . . 0.0 112.723 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -54.06 -36.02 62.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.288 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.735 ' O ' HD13 ' A' ' 58' ' ' LEU . 6.7 tt0 -71.61 -50.22 32.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.534 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.461 HD11 ' CE3' ' A' ' 66' ' ' TRP . 5.8 mt -79.75 -9.57 59.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.983 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.824 ' CG ' HD21 ' A' ' 36' ' ' LEU . 1.5 tt0 -60.43 -34.94 74.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.722 0.296 . . . . 0.0 111.551 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.11 -23.05 3.06 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.915 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.735 HD13 ' O ' ' A' ' 54' ' ' GLU . 1.3 mp -55.07 -35.16 64.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 0.0 111.18 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.07 148.44 6.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.752 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -76.72 -56.11 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.431 ' C ' HD23 ' A' ' 61' ' ' LEU . 8.6 tt -58.59 -43.73 89.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -64.27 -41.1 97.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.9 -43.59 95.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -50.57 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.49 98.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.641 ' O ' HG23 ' A' ' 70' ' ' VAL . 7.4 t90 -66.83 -41.89 86.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.981 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.23 -39.95 74.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.317 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.14 -46.04 82.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.418 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.87 -48.61 73.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 111.299 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.647 ' HB ' HD21 ' A' ' 50' ' ' LEU . 30.0 t -68.7 -43.53 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.62 -46.24 77.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.927 0.394 . . . . 0.0 110.458 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 10.6 pt-20 -69.92 -37.31 75.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.556 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 2.7 m120 -69.63 -41.67 75.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.431 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.31 -42.4 20.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.99 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.622 HD11 HD22 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -91.58 -42.43 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 100.56 25.0 8.92 Favored Glycine 0 CA--C 1.518 0.238 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.684 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.413 ' CG1' HD22 ' A' ' 75' ' ' LEU . 35.7 mm -91.52 125.77 44.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.806 0.336 . . . . 0.0 111.128 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m -74.1 123.31 89.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.19 142.94 77.16 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.481 2.121 . . . . 0.0 112.355 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.593 ' O ' HG12 ' A' ' 80' ' ' VAL . 21.5 t -131.61 4.78 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.663 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.7 m -149.77 150.63 13.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.815 0.34 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.496 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.3 m -86.89 147.64 25.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.418 ' O ' HG12 ' A' ' 87' ' ' VAL . . . -58.11 -43.66 87.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.221 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -59.16 -37.1 76.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.005 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.554 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.52 -45.27 72.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.158 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 82' ' ' SER . 21.4 t -65.03 -48.7 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.344 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 83' ' ' ALA . 12.4 p -61.35 -35.75 68.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.23 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.66 -13.38 39.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.487 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.33 34.6 85.56 Favored Glycine 0 C--N 1.33 0.201 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.4 m -107.46 30.99 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.72 0.295 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.554 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -148.6 70.24 10.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.07 -42.83 27.47 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.608 2.205 . . . . 0.0 112.276 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 93' ' ' LEU . 8.6 tp -59.85 -44.58 94.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.763 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.49 -32.55 84.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.324 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.539 HD21 ' CE2' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -64.55 -43.16 94.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.913 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.5 mm -64.91 -44.3 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.73 93.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.064 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.649 ' HE2' HD21 ' A' ' 38' ' ' LEU . 17.6 t80 -69.28 -46.45 67.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.446 HD22 ' HB3' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -59.7 -32.6 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -44.08 84.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -62.58 -47.9 81.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 1.0 OUTLIER -62.73 -34.05 76.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -66.23 -47.68 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.54 -41.97 92.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.02 92.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.606 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.82 -42.44 90.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.892 0.377 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -62.69 -46.81 86.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -67.29 -31.77 72.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -67.65 -45.69 74.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.787 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.28 -34.93 78.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -65.96 -38.52 88.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.958 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.428 ' CH2' ' HA ' ' A' ' 103' ' ' HIS . 77.2 t90 -66.33 -48.1 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.051 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.9 t -63.41 -45.52 90.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.033 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.64 ' HA ' HG22 ' A' ' 17' ' ' THR . 1.4 tt0 -67.85 -34.79 77.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.95 -45.54 85.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.6 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -65.74 -36.93 84.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.768 HG21 ' CG2' ' A' ' 25' ' ' VAL . 9.9 t -88.45 7.52 32.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.391 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.26 125.34 30.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.774 0.321 . . . . 0.0 111.046 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.81 -28.35 3.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.542 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.459 ' HH ' ' HD2' ' A' ' 43' ' ' TYR . 52.2 m-85 -76.43 133.08 71.56 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.508 0.194 . . . . 0.0 110.832 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.39 103.14 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.435 2.09 . . . . 0.0 112.362 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.1 24.01 5.89 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.966 HG22 HD13 ' A' ' 36' ' ' LEU . 20.3 t -129.84 120.64 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.023 0.44 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -135.54 77.42 1.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.799 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.768 ' CG2' HG21 ' A' ' 17' ' ' THR . 46.8 t -74.88 108.29 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.312 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.35 23.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 31' ' ' SER . 2.5 m-20 -138.17 154.38 49.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.719 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.618 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.3 mm? -97.83 37.73 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.025 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 t -175.72 -80.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.399 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.5 m -55.94 -24.01 35.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.561 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 0.5 OUTLIER -66.97 -31.03 71.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.123 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.497 ' HB2' HG12 ' A' ' 86' ' ' VAL . 6.5 m95 -103.11 20.18 18.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.248 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.751 ' HA ' HG13 ' A' ' 87' ' ' VAL . . . -57.15 -56.68 18.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.28 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 p30 -82.94 1.26 40.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.446 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.09 27.81 73.57 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.563 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.966 HD13 HG22 ' A' ' 23' ' ' VAL . 5.2 mt -75.05 -35.32 61.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.765 0.317 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.01 -47.17 85.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.059 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.754 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.3 tt -66.71 -44.03 82.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -36.5 81.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.812 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.79 -48.71 80.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 5.7 mt -61.18 -47.38 86.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.814 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 38' ' ' LEU . 24.6 t -57.92 -41.68 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.459 ' HD2' ' HH ' ' A' ' 20' ' ' TYR . 54.3 t80 -61.44 -37.86 85.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -40.25 96.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.499 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.1 mm? -84.82 -31.93 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.002 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.418 ' CG ' HG12 ' A' ' 42' ' ' VAL . 5.6 pt20 -140.78 70.35 30.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.789 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.01 -27.0 30.57 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.534 2.156 . . . . 0.0 112.304 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.57 -4.39 90.4 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.702 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.422 ' O ' HD22 ' A' ' 50' ' ' LEU . 13.9 mt -133.9 34.89 3.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.846 0.323 . . . . 0.0 111.183 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.439 HD13 ' H ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -149.72 160.18 43.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 111.122 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.439 ' H ' HD13 ' A' ' 50' ' ' LEU . 5.3 mm-40 -143.41 64.39 13.73 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.564 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.34 -36.79 94.49 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.779 2.319 . . . . 0.0 112.507 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.1 p -60.3 -40.24 89.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.929 0.395 . . . . 0.0 110.723 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.9 ' C ' HD12 ' A' ' 58' ' ' LEU . 2.1 tt0 -71.57 -50.37 31.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.035 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 63' ' ' ALA . 3.6 mm? -66.8 -13.1 61.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.38 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.733 ' CG ' HD11 ' A' ' 36' ' ' LEU . 4.5 tm0? -63.61 -39.96 95.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.783 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.75 -14.54 8.62 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.994 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.9 HD12 ' C ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -56.41 -27.94 57.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.672 0.272 . . . . 0.0 110.88 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.47 162.92 10.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.64 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -74.15 -66.57 0.7 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.918 0.39 . . . . 0.0 111.021 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.9 mp -59.54 -37.62 78.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.81 -44.42 96.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.663 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -63.78 -43.78 95.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -50.72 58.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.61 98.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.39 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.523 ' O ' HG12 ' A' ' 70' ' ' VAL . 5.6 t90 -66.95 -49.72 64.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.933 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.32 93.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.51 -45.0 85.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.239 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -63.86 -48.51 76.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.064 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 66' ' ' TRP . 12.1 p -68.42 -44.0 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.044 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.463 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -55.12 -45.41 75.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.045 0.45 . . . . 0.0 110.417 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.477 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 1.0 OUTLIER -69.89 -37.39 76.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.403 179.338 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -69.5 -41.21 76.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.44 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -42.38 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.65 -47.63 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 116.57 13.78 7.87 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.641 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.0 mm -83.7 106.07 13.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.64 0.257 . . . . 0.0 111.007 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.6 t -73.94 132.03 80.66 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.63 138.91 58.41 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.455 2.103 . . . . 0.0 112.366 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.14 -17.79 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.513 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.55 148.73 24.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 111.079 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.592 ' O ' HG23 ' A' ' 86' ' ' VAL . 50.5 m -75.77 148.73 38.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -58.2 -43.64 87.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -57.66 -39.2 76.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.621 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.48 -45.46 72.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.141 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 82' ' ' SER . 21.7 t -60.31 -51.04 77.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.294 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.751 HG13 ' HA ' ' A' ' 33' ' ' ALA . 21.8 t -67.89 -33.22 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.259 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.06 -13.36 53.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.598 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.49 31.83 67.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 p -106.05 31.35 5.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.98 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.621 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 5.6 t0 -154.66 67.94 5.54 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.04 -42.75 28.2 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.571 2.18 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.6 -44.12 89.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.99 -35.49 84.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.681 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.551 ' O ' HD23 ' A' ' 99' ' ' LEU . 4.7 tp -60.12 -43.23 95.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.3 mm -67.8 -46.95 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.2 79.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.424 ' OH ' HD11 ' A' ' 38' ' ' LEU . 14.0 t80 -68.1 -47.64 67.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.024 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 95' ' ' LEU . 3.7 mm? -58.16 -32.62 68.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.0 m -63.51 -36.84 85.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -74.65 -48.12 28.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.424 ' CE2' ' CZ ' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -62.83 -41.08 99.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.864 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.428 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 3.8 t60 -67.43 -44.23 79.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.9 m -66.63 -43.59 84.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.97 -44.41 85.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.19 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.499 ' CE2' HD23 ' A' ' 45' ' ' LEU . 4.0 m-85 -68.69 -28.86 67.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.751 ' HA ' HD12 ' A' ' 9' ' ' LEU . 2.0 tt0 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -63.4 -46.82 84.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.305 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 2.7 pt-20 -62.52 -31.63 72.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.223 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 6' ' ' GLN . 31.3 mt -66.6 -48.83 68.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.53 -38.88 92.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -59.8 -41.45 91.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -67.77 -36.49 80.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.157 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.484 ' SG ' HD21 ' A' ' 99' ' ' LEU . 1.5 m -68.9 -45.48 70.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.406 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.537 ' HA ' HG22 ' A' ' 17' ' ' THR . 4.0 pt20 -67.29 -35.36 79.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.136 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 1.3 mt-10 -66.43 -45.68 79.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 111.011 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -65.29 -34.15 77.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.251 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.537 HG22 ' HA ' ' A' ' 14' ' ' GLN . 14.8 t -86.73 7.5 26.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.474 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.23 125.37 32.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 111.131 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.66 -22.58 2.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.694 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.514 ' CE1' ' HB1' ' A' ' 40' ' ' ALA . 42.2 m-85 -81.62 140.02 47.66 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.669 0.271 . . . . 0.0 110.809 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.32 59.96 3.21 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.668 2.246 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.62 38.51 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.257 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 23' ' ' VAL . 12.0 p -113.8 120.82 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 111.08 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -140.58 94.73 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.653 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.541 HG13 ' HB3' ' A' ' 31' ' ' SER . 21.5 t -113.79 109.08 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.221 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -150.12 23.0 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.984 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.16 162.02 35.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.858 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -108.8 43.38 1.26 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.025 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.0 m -166.39 -79.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.9 m -65.75 -35.09 79.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.949 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.541 ' HB3' HG13 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -54.94 -24.18 22.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.351 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -108.66 7.99 26.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.486 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.793 ' HA ' HG13 ' A' ' 87' ' ' VAL . . . -53.99 -60.81 2.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.632 0.253 . . . . 0.0 111.478 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.607 ' OD2' HD12 ' A' ' 36' ' ' LEU . 13.3 p30 -79.46 -2.83 43.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.445 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.42 35.99 92.06 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.574 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.607 HD12 ' OD2' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -67.17 -39.57 86.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.791 0.329 . . . . 0.0 111.133 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.58 -47.01 80.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.512 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.684 ' O ' HG23 ' A' ' 42' ' ' VAL . 3.7 mp -61.67 -46.09 91.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.156 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -67.22 -42.59 83.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.917 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.514 ' HB1' ' CE1' ' A' ' 20' ' ' TYR . . . -57.98 -47.36 83.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.97 -52.35 65.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 38' ' ' LEU . 26.0 t -58.47 -42.37 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 72.7 t80 -61.1 -37.88 84.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -40.36 97.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.831 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.518 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.3 mm? -78.97 -35.99 42.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -144.25 75.86 15.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.717 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.418 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 43.0 Cg_endo -67.88 -26.56 37.95 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.571 2.18 . . . . 0.0 112.484 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.03 -28.61 68.21 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.457 ' O ' HD22 ' A' ' 50' ' ' LEU . 1.7 mt -111.51 35.75 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.685 0.278 . . . . 0.0 111.205 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.457 HD22 ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -149.11 164.4 34.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.368 . . . . 0.0 111.005 179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -152.54 64.83 5.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.67 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.88 -26.06 72.4 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.717 2.278 . . . . 0.0 112.406 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -64.76 -41.46 95.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.656 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.876 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.5 mm-40 -71.55 -50.13 34.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.015 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.587 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 18.4 mt -64.98 -14.2 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.372 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.541 HE21 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -63.96 -40.04 95.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.888 -179.364 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.03 -9.21 16.31 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.373 -0.918 . . . . 0.0 113.014 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.876 HD12 ' O ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -57.34 -29.19 63.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 110.663 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 139.88 174.62 13.84 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.663 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.732 ' HB1' HG11 ' A' ' 87' ' ' VAL . . . -77.66 -63.09 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 111.165 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.53 HD21 ' HG2' ' A' ' 84' ' ' GLN . 0.1 OUTLIER -62.94 -37.56 87.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.78 -46.82 77.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -67.84 -43.91 78.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.149 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.534 HG22 HD12 ' A' ' 68' ' ' LEU . 19.6 m -67.44 -50.58 58.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.223 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.43 98.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.425 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.718 ' CZ3' HG21 ' A' ' 70' ' ' VAL . 27.0 t90 -66.91 -49.94 63.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.041 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.41 82.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.352 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.534 HD12 HG22 ' A' ' 64' ' ' THR . 0.2 OUTLIER -64.9 -40.34 94.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.292 -179.762 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -70.9 -48.47 53.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.242 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.718 HG21 ' CZ3' ' A' ' 66' ' ' TRP . 23.8 t -68.71 -46.75 79.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.154 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.427 ' HB2' HG21 ' A' ' 42' ' ' VAL . . . -55.3 -44.26 75.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.044 0.449 . . . . 0.0 110.257 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.415 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 2.1 tm-20 -69.78 -37.28 76.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.402 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -70.85 -41.4 71.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.643 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -81.16 -42.3 21.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 35.3 mt -93.18 -33.14 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 93.41 20.77 31.31 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.406 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.4 mt -92.27 116.34 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.803 0.335 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 2.5 t -74.16 136.93 75.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 78' ' ' THR . 51.1 Cg_exo -55.35 142.95 78.6 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.496 2.131 . . . . 0.0 112.385 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.655 HG11 ' HB1' ' A' ' 97' ' ' ALA . 20.3 t -113.87 -26.72 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.259 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 82' ' ' SER . 9.4 p -138.09 159.08 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.949 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.483 ' N ' HG22 ' A' ' 81' ' ' VAL . 1.4 t -75.52 154.48 36.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.78 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -65.09 -43.64 91.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.53 ' HG2' HD21 ' A' ' 61' ' ' LEU . 3.4 mm100 -60.43 -37.05 79.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.984 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.489 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.58 -46.32 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.443 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.676 HG23 HD11 ' A' ' 95' ' ' LEU . 9.1 p -70.42 -44.91 76.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.41 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.793 HG13 ' HA ' ' A' ' 33' ' ' ALA . 47.9 t -62.59 -38.11 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.42 53.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.476 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.72 31.34 80.58 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.35 31.1 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.666 0.27 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.489 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -161.39 77.24 2.32 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.918 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.97 -38.1 60.4 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.654 2.236 . . . . 0.0 112.228 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.3 -38.81 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.829 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.81 -38.8 56.3 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.676 HD11 HG23 ' A' ' 86' ' ' VAL . 3.6 mm? -60.04 -43.18 95.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.76 0.314 . . . . 0.0 110.939 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.645 HD11 ' OE1' ' A' ' 6' ' ' GLN . 59.2 mt -67.91 -41.39 84.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.959 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.655 ' HB1' HG11 ' A' ' 80' ' ' VAL . . . -58.81 -40.16 83.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.049 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -66.73 -46.58 75.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.484 HD21 ' SG ' ' A' ' 13' ' ' CYS . 4.5 mp -58.45 -38.63 77.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 53.1 m -60.19 -45.64 92.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.017 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -44.21 90.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.94 -41.45 82.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -65.86 -41.45 91.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.961 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 53.9 p -60.17 -43.85 95.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.16 -42.68 45.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.518 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.87 -31.18 71.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 tttm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.75 0.31 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -62.75 -46.91 85.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.111 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.54 -31.64 67.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -68.37 -47.61 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -34.86 78.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.778 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -65.93 -38.0 87.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.414 ' CD2' ' CD2' ' A' ' 103' ' ' HIS . 42.4 t90 -67.66 -38.91 84.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.477 ' SG ' HD21 ' A' ' 99' ' ' LEU . 2.0 t -64.74 -45.43 86.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -67.42 -38.97 85.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.32 -45.71 79.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.516 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -66.62 -31.25 71.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.723 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.802 HG23 ' CB ' ' A' ' 40' ' ' ALA . 62.3 m -88.44 7.36 33.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.313 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.58 128.93 34.17 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.787 0.327 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.21 -24.31 2.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.622 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.453 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 34.6 m-85 -85.45 121.43 73.61 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.393 0.139 . . . . 0.0 110.739 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 16.7 Cg_exo -67.64 61.19 0.83 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.61 2.207 . . . . 0.0 112.698 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.86 40.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.769 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.435 HG22 HD22 ' A' ' 36' ' ' LEU . 40.8 t -140.54 120.84 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 111.078 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -122.62 127.67 49.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.773 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 t -121.02 98.34 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.332 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -152.47 23.95 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 31' ' ' SER . 1.6 m-20 -138.01 148.13 44.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.732 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.3 mm? -96.3 36.91 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.281 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 t -170.44 -80.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.81 0.338 . . . . 0.0 111.398 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -54.4 -25.85 27.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.527 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -66.11 -27.79 68.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.076 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.664 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 3.8 m95 -110.84 18.08 19.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.26 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.641 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -58.02 -56.3 23.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.697 0.284 . . . . 0.0 111.201 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.822 ' CG ' HD12 ' A' ' 36' ' ' LEU . 10.2 p30 -87.39 7.68 27.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.298 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.43 29.3 74.0 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.878 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.822 HD12 ' CG ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -75.09 -38.7 61.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 111.18 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.664 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -61.59 -47.4 85.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.281 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.632 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -65.61 -45.92 81.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -34.45 77.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.736 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.802 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -60.1 -43.72 95.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.47 HD23 ' CE2' ' A' ' 106' ' ' PHE . 2.6 mp -66.74 -52.28 46.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.658 HG12 ' CD1' ' A' ' 50' ' ' LEU . 11.8 t -58.82 -47.86 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.465 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 69.8 t80 -55.32 -37.99 68.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -43.0 99.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.774 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.46 -33.43 54.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.803 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.521 ' NE2' HD23 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -151.14 81.44 6.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.504 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 55.4 Cg_endo -70.2 -36.97 8.71 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.476 2.117 . . . . 0.0 112.497 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.11 -29.23 74.35 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.521 HD23 ' NE2' ' A' ' 46' ' ' GLN . 2.9 mm? -94.92 24.02 5.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.575 0.226 . . . . 0.0 111.495 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.658 ' CD1' HG12 ' A' ' 42' ' ' VAL . 1.2 mp -153.97 176.42 12.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.408 . . . . 0.0 111.286 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -157.25 61.84 2.47 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.611 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.429 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 10.4 Cg_endo -53.47 -34.51 72.28 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.875 2.383 . . . . 0.0 112.409 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.8 p -55.69 -45.07 77.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.455 ' O ' HD13 ' A' ' 58' ' ' LEU . 7.5 mt-10 -71.62 -50.22 32.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.226 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.499 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 2.0 mt -67.72 -14.48 62.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.507 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.787 ' HG3' HD11 ' A' ' 36' ' ' LEU . 11.8 tt0 -60.74 -39.77 89.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.471 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.81 -17.62 5.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.796 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -54.07 -30.58 48.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.961 0.41 . . . . 0.0 110.906 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.46 156.42 7.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.567 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -76.49 -55.6 5.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.782 0.325 . . . . 0.0 111.033 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.24 -37.41 77.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -70.04 -45.22 67.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.037 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.8 -44.01 94.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.196 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.732 ' CG2' ' HB1' ' A' ' 83' ' ' ALA . 12.8 t -67.59 -47.52 69.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.444 ' N ' HG23 ' A' ' 64' ' ' THR . . . -66.37 -43.51 85.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.342 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.672 ' O ' HG22 ' A' ' 70' ' ' VAL . 19.6 t90 -66.9 -41.59 86.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.823 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HA ' HG22 ' A' ' 70' ' ' VAL . . . -70.46 -37.87 74.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 68' ' ' LEU . 11.6 mt -65.68 -40.89 92.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.048 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -70.47 -48.34 56.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.1 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 66' ' ' TRP . 28.8 m -68.25 -42.36 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.428 ' N ' HG23 ' A' ' 70' ' ' VAL . . . -55.59 -43.87 76.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.087 0.47 . . . . 0.0 110.241 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 29.1 tt0 -69.84 -37.34 76.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.415 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -71.0 -41.42 70.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.472 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -81.14 -42.35 21.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.022 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.633 ' O ' HD23 ' A' ' 75' ' ' LEU . 3.8 tt -91.14 -33.76 15.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -178.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 83.0 34.99 19.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.354 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.658 HD11 ' HB3' ' A' ' 101' ' ' HIS . 1.7 tt -111.11 128.98 67.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.858 0.361 . . . . 0.0 111.18 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 m -74.3 124.07 89.64 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.454 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 49.6 Cg_exo -55.64 155.0 23.12 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.412 2.075 . . . . 0.0 112.323 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 80' ' ' VAL . 21.4 t -126.27 -1.92 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.768 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 82' ' ' SER . 21.5 t -144.9 159.11 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.809 0.338 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.485 ' N ' HG12 ' A' ' 81' ' ' VAL . 2.2 m -84.4 158.01 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.732 ' HB1' ' CG2' ' A' ' 64' ' ' THR . . . -64.98 -43.58 92.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.327 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -33.33 75.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.072 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.36 -46.27 70.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.392 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 83' ' ' ALA . 16.0 m -64.42 -40.92 90.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.43 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 83' ' ' ALA . 63.1 t -69.86 -32.66 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.0 -13.52 38.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.553 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.12 31.36 68.83 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.556 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -98.64 31.95 2.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.3 75.62 3.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -62.08 -42.8 27.61 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.633 2.222 . . . . 0.0 112.211 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.3 -39.02 93.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.98 -44.26 91.98 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.97 -42.82 94.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.5 mt -67.63 -41.12 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.33 97.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.454 ' CE1' ' HA ' ' A' ' 79' ' ' PRO . 2.4 t80 -69.13 -40.01 78.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.477 HD21 ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -58.92 -41.24 86.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.2 t -60.39 -36.76 78.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.658 ' HB3' HD11 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -66.0 -42.51 89.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -62.71 -35.88 81.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.414 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 10.4 t-80 -64.26 -41.6 96.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.5 m -56.43 -41.31 76.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.02 -40.24 22.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.47 ' CE2' HD23 ' A' ' 41' ' ' LEU . 3.3 m-85 -65.76 -38.99 90.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.5 tttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.777 0.322 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.76 -46.86 86.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.119 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 4.6 pt-20 -65.59 -31.63 72.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.404 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -66.03 -46.02 79.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.733 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.99 -34.88 78.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -41.27 97.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -67.56 -36.87 81.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.11 -45.52 84.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.011 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.15 -36.51 81.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -45.51 79.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.546 ' HB3' HD23 ' A' ' 41' ' ' LEU . 1.1 mp0 -69.39 -30.73 68.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.731 ' HB ' HG21 ' A' ' 25' ' ' VAL . 13.7 m -94.24 7.56 44.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.512 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.67 129.42 34.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.874 0.368 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.73 -26.03 2.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.673 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.703 ' O ' HG12 ' A' ' 23' ' ' VAL . 19.2 m-85 -86.36 121.33 72.46 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.465 0.174 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.79 101.82 0.4 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.379 2.053 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.5 22.75 4.31 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.433 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 20' ' ' TYR . 12.6 p -111.02 120.37 61.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.053 0.454 . . . . 0.0 111.061 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -117.75 73.49 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.564 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.731 HG21 ' HB ' ' A' ' 17' ' ' THR . 21.7 t -72.6 94.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.419 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -151.25 20.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -138.4 141.64 39.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.56 36.85 1.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 t -165.63 -68.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -61.17 -37.15 81.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 62.5 m -55.07 -26.77 39.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.277 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.624 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 4.6 m95 -104.18 8.72 36.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.414 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.761 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -55.43 -58.7 6.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.71 0.29 . . . . 0.0 111.301 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.757 ' CG ' HD12 ' A' ' 36' ' ' LEU . 10.9 p30 -79.44 -3.35 46.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.335 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.92 26.0 63.32 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.744 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.816 HD11 ' CG ' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -75.08 -36.3 61.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.726 0.298 . . . . 0.0 111.046 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.624 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -63.9 -47.13 81.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.277 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 42' ' ' VAL . 4.4 tp -68.43 -46.09 70.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.717 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 57.8 m -66.25 -37.49 85.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.783 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.71 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -59.6 -44.78 93.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.973 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.546 HD23 ' HB3' ' A' ' 16' ' ' GLN . 16.9 mt -62.91 -52.36 63.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.756 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.675 HG12 HD21 ' A' ' 50' ' ' LEU . 11.8 t -59.89 -42.63 89.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.442 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 81.0 t80 -60.05 -37.82 80.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.66 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -41.47 99.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.549 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.565 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.3 mm? -75.59 -30.43 59.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.45 ' O ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -149.86 82.59 6.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.597 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.442 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 50.7 Cg_endo -69.41 -26.05 29.63 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.6 2.2 . . . . 0.0 112.596 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.11 -33.87 43.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.653 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.888 ' O ' HD22 ' A' ' 50' ' ' LEU . 13.9 mt -99.13 27.58 5.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.715 0.293 . . . . 0.0 111.255 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.888 HD22 ' O ' ' A' ' 49' ' ' LEU . 2.5 mm? -142.1 164.47 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 111.019 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -154.7 64.51 4.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.36 -46.19 29.58 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.854 2.369 . . . . 0.0 112.581 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.9 p -55.04 -30.9 60.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.202 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.824 ' O ' HD13 ' A' ' 58' ' ' LEU . 25.1 tt0 -71.5 -50.02 35.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.364 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.8 HD11 ' CE3' ' A' ' 66' ' ' TRP . 1.1 mt -84.2 -9.74 58.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.683 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.816 ' CG ' HD11 ' A' ' 36' ' ' LEU . 1.5 tm0? -60.33 -35.48 75.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.547 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -118.47 -25.14 2.98 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.033 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.824 HD13 ' O ' ' A' ' 54' ' ' GLU . 1.9 mp -52.98 -35.21 58.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 111.283 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.45 149.98 6.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.691 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.761 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -78.13 -55.15 5.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.085 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.57 -40.41 83.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.38 -35.38 73.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 55' ' ' LEU . . . -67.06 -43.73 81.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.513 ' HB ' ' HB1' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -65.26 -50.61 65.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.73 -43.41 90.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.8 ' CE3' HD11 ' A' ' 55' ' ' LEU . 1.6 t90 -66.79 -44.94 79.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.717 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -63.69 -39.58 94.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.271 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.01 -44.05 93.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.293 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -68.67 -48.41 64.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.349 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 66' ' ' TRP . 26.8 m -68.26 -40.66 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.298 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.12 78.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.975 0.417 . . . . 0.0 110.442 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.522 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 5.2 tm-20 -69.87 -37.43 76.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.567 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -69.52 -41.21 76.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.384 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.22 -42.32 20.95 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.17 -42.11 6.16 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 96.56 28.3 9.1 Favored Glycine 0 N--CA 1.454 -0.115 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.235 -179.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.858 HD11 ' HB3' ' A' ' 101' ' ' HIS . 0.5 OUTLIER -93.41 122.51 44.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 111.044 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.9 m -74.18 115.17 40.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.413 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 44.3 Cg_endo -68.26 122.35 9.38 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.473 2.115 . . . . 0.0 112.208 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.591 ' O ' HG12 ' A' ' 80' ' ' VAL . 14.0 t -102.52 19.29 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.424 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -149.75 147.97 15.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.828 0.347 . . . . 0.0 111.031 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.5 m -82.87 159.92 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.76 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -64.99 -43.55 92.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -63.52 -33.87 76.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.55 -46.29 69.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.255 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 87' ' ' VAL . 8.4 p -70.56 -41.47 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.186 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 83' ' ' ALA . 59.2 t -67.74 -36.41 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.968 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.58 -13.46 37.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.504 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.0 28.34 60.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.609 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 t -79.06 -32.47 44.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.775 0.322 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.437 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -107.52 78.17 0.66 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.04 -42.8 27.86 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.491 2.127 . . . . 0.0 112.223 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.3 mt -58.41 -41.15 84.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.838 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.04 -37.66 93.34 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.38 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -42.72 96.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.9 mm -65.24 -41.16 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.59 92.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.597 ' HE2' HD11 ' A' ' 38' ' ' LEU . 11.2 t80 -69.27 -38.69 78.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.81 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.442 HD21 ' HH2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -58.37 -38.57 77.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.841 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 t -60.41 -42.02 95.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.776 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.858 ' HB3' HD11 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -64.72 -41.9 95.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -43.28 78.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -62.79 -43.19 99.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.8 m -58.59 -33.13 69.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.43 -44.29 17.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.565 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.2 m-85 -66.84 -33.07 74.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.04 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tptt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 -179.875 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.825 0.345 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.44 -46.87 68.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.478 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -65.42 -31.67 72.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 111.097 -179.799 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 69.2 mt -67.13 -46.34 74.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.32 -34.8 78.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -65.99 -38.34 88.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -67.65 -39.22 84.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -69.48 -45.45 68.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -60.91 -38.88 87.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -66.34 -45.49 80.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.798 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -68.37 -28.04 66.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.76 HG23 ' CB ' ' A' ' 40' ' ' ALA . 8.0 m -91.21 3.59 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.505 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.31 134.44 34.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.912 0.387 . . . . 0.0 111.079 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.77 -24.4 3.02 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.695 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.47 ' CE1' ' HB1' ' A' ' 40' ' ' ALA . 18.9 m-85 -86.14 141.61 35.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.604 0.24 . . . . 0.0 110.969 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.33 62.77 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.592 2.195 . . . . 0.0 112.353 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.87 40.21 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.138 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.678 HG21 ' O ' ' A' ' 17' ' ' THR . 14.9 p -93.01 120.83 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.977 0.418 . . . . 0.0 111.274 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.89 74.48 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.369 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -99.17 90.48 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.591 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -147.08 21.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -138.1 148.59 45.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mp -102.07 40.2 1.37 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.102 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 t -174.0 -80.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.383 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -56.36 -22.14 29.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.449 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -30.67 71.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.164 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.621 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 6.4 m95 -95.54 13.54 25.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.484 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.731 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -56.55 -58.13 9.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.655 0.264 . . . . 0.0 111.281 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.835 ' CG ' HD12 ' A' ' 36' ' ' LEU . 11.4 p30 -79.42 -2.11 40.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.395 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.31 32.29 75.64 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.647 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.835 HD12 ' CG ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -74.94 -40.54 60.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.621 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -59.99 -47.26 86.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.356 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.603 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -66.84 -46.03 76.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.01 -42.08 97.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.023 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.76 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -57.66 -46.96 83.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.295 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 38' ' ' LEU . 3.7 mt -59.52 -52.41 65.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 38' ' ' LEU . 21.7 t -59.33 -43.29 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.448 ' CD1' ' HD2' ' A' ' 52' ' ' PRO . 72.2 t80 -59.37 -38.0 79.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.809 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -63.0 -41.97 99.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.709 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.447 HD23 ' CZ ' ' A' ' 106' ' ' PHE . 4.1 mm? -78.6 -36.38 44.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.693 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -145.55 78.86 11.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.494 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.439 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 56.6 Cg_endo -70.78 -40.24 3.89 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.575 2.183 . . . . 0.0 112.566 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.97 -30.83 70.8 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.41 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.554 ' O ' HG11 ' A' ' 70' ' ' VAL . 2.8 mm? -96.25 24.81 5.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.597 0.237 . . . . 0.0 111.305 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.584 ' CD1' HG12 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -152.35 173.09 15.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.935 0.398 . . . . 0.0 111.249 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -158.83 59.16 1.41 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.582 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.448 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 10.5 Cg_endo -53.11 -31.29 53.83 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.095 2.53 . . . . 0.0 112.553 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.91 -47.26 71.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.285 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 4.0 mt-10 -71.72 -50.22 32.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.461 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 4.7 mt -70.72 -9.77 57.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.005 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.761 ' HG3' HD11 ' A' ' 36' ' ' LEU . 12.5 tt0 -60.48 -39.81 89.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.7 0.286 . . . . 0.0 111.316 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.26 -14.12 5.58 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.837 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -60.34 -28.82 68.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.797 0.332 . . . . 0.0 110.805 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.02 151.36 6.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.915 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.731 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -76.46 -56.2 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.958 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 61' ' ' LEU . 3.5 mm? -60.81 -37.63 82.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -64.38 -45.29 88.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.74 -43.63 95.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.43 -45.23 76.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.164 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.36 -43.72 93.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.451 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.638 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -66.96 -50.02 63.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.382 . . . . 0.0 111.025 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.4 -40.23 95.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.264 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -45.52 88.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.192 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -66.91 -48.42 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.184 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 66' ' ' TRP . 24.7 t -68.48 -38.8 79.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.191 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.15 79.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 0.0 110.576 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.481 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 13.2 pt-20 -70.09 -37.16 75.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.511 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -69.83 -41.28 75.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.384 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -42.28 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.196 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.6 mt -96.99 -38.71 9.68 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 94.7 25.68 14.8 Favored Glycine 0 CA--C 1.517 0.188 0 C-N-CA 120.35 -0.928 . . . . 0.0 112.231 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.8 mm -92.28 125.41 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.7 m -74.08 128.68 85.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.26 143.73 51.55 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.424 2.083 . . . . 0.0 112.34 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 t -113.17 -22.48 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.335 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.2 m -145.45 153.05 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.08 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 86' ' ' VAL . 87.1 p -76.01 148.7 37.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.674 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -58.44 -43.54 88.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.112 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -39.85 69.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.86 74.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 82' ' ' SER . 21.4 t -61.57 -47.12 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.105 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 83' ' ' ALA . 35.5 t -61.25 -34.19 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.02 -13.54 47.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.529 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.44 36.23 75.97 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.447 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 m -104.8 36.05 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.953 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -161.84 63.72 1.63 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.95 -42.23 65.63 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.586 2.191 . . . . 0.0 112.231 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.16 -42.11 85.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.12 -36.91 93.85 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.275 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 95' ' ' LEU . 3.7 mm? -61.48 -42.66 99.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.798 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.1 mm -64.13 -42.02 94.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.41 86.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.402 ' CE1' ' CE1' ' A' ' 102' ' ' PHE . 8.8 t80 -63.87 -48.15 77.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -39.04 78.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.0 m -60.89 -40.29 92.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -68.22 -45.44 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.402 ' CE1' ' CE1' ' A' ' 98' ' ' TYR . 2.3 m-85 -66.86 -38.14 85.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -60.02 -41.52 92.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 m -58.54 -43.87 89.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.61 -40.43 63.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.447 ' CZ ' HD23 ' A' ' 45' ' ' LEU . 3.4 m-85 -65.76 -31.29 72.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.822 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.749 0.309 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -47.06 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.324 -179.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -72.59 -31.61 65.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.586 ' CD2' HG23 ' A' ' 96' ' ' ILE . 12.8 tp -70.22 -46.85 63.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -63.37 -36.21 82.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -41.29 91.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.439 ' CZ2' ' HG3' ' A' ' 16' ' ' GLN . 74.1 t90 -67.65 -36.92 81.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.447 ' SG ' HD13 ' A' ' 99' ' ' LEU . 35.7 m -68.93 -45.54 70.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.29 -39.43 94.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.024 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -66.33 -45.57 79.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.994 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.439 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 12.3 mm-40 -69.37 -31.51 69.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.139 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.736 HG22 HG21 ' A' ' 23' ' ' VAL . 6.9 m -89.03 7.53 34.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.345 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.91 125.4 32.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.359 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.79 -34.26 0.88 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.64 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.643 ' O ' HG12 ' A' ' 23' ' ' VAL . 39.5 m-85 -78.16 138.7 60.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.691 0.282 . . . . 0.0 110.826 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.41 92.53 1.07 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.662 2.241 . . . . 0.0 112.492 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.33 -3.33 8.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.779 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.736 HG21 HG22 ' A' ' 17' ' ' THR . 10.2 p -78.41 120.69 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 0.0 111.01 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.27 93.52 4.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.668 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.598 HG21 ' HB ' ' A' ' 17' ' ' THR . 21.4 t -97.41 85.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.367 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.4 t -149.79 20.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -138.21 142.77 39.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.96 39.09 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.989 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 t -169.23 -78.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.348 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.9 t -56.8 -40.61 76.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.496 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.42 -27.0 33.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.401 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.618 ' CH2' HD21 ' A' ' 99' ' ' LEU . 12.6 m95 -102.28 14.58 31.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.566 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.402 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -62.85 -47.68 82.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.353 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 56.0 p-10 -86.14 5.55 33.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.389 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.52 21.68 35.73 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.847 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.674 HD22 ' HG3' ' A' ' 56' ' ' GLN . 20.8 tp -70.67 -30.44 67.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.804 0.335 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.409 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -61.91 -47.18 86.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.5 HD22 HD12 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -66.95 -46.18 75.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.69 -39.21 93.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.507 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 20' ' ' TYR . . . -59.39 -40.7 87.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.77 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 38' ' ' LEU . 10.1 mt -62.37 -51.6 66.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.738 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.551 HG12 HD13 ' A' ' 50' ' ' LEU . 22.0 t -58.75 -46.65 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.466 ' CD2' ' HD2' ' A' ' 52' ' ' PRO . 47.5 t80 -59.15 -37.74 78.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -38.2 89.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.79 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.485 HD21 ' CE2' ' A' ' 106' ' ' PHE . 3.9 mm? -86.46 -29.64 22.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.704 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -146.11 74.46 13.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.532 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 56.0 Cg_endo -70.64 -30.76 17.72 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.509 2.139 . . . . 0.0 112.252 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.77 -21.42 73.07 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.534 ' O ' HD12 ' A' ' 50' ' ' LEU . 34.7 mt -116.17 39.21 3.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.647 0.26 . . . . 0.0 111.324 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.551 HD13 HG12 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -161.34 170.7 19.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.001 0.429 . . . . 0.0 111.235 179.736 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -158.91 62.4 2.14 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.519 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.466 ' HD2' ' CD2' ' A' ' 43' ' ' TYR . 17.6 Cg_endo -57.14 -18.89 31.22 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.887 2.391 . . . . 0.0 112.676 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.4 p -62.16 -45.75 92.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.846 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -50.05 32.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.203 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 63' ' ' ALA . 4.0 mm? -62.78 -17.07 60.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.674 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.674 ' HG3' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -60.88 -39.83 90.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 111.268 -179.529 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -118.46 -10.31 8.76 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.841 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -31.13 71.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.769 0.319 . . . . 0.0 110.701 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.36 153.94 7.82 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.651 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -74.05 -64.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.319 . . . . 0.0 111.042 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 tt -62.28 -37.59 86.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.14 -44.9 96.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.037 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.61 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -63.86 -43.79 95.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.695 HG22 HD13 ' A' ' 68' ' ' LEU . 5.2 m -67.31 -50.73 58.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.54 98.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.74 ' O ' HG22 ' A' ' 70' ' ' VAL . 32.8 t90 -66.8 -42.2 86.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.999 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 71' ' ' ALA . . . -70.53 -37.68 74.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.254 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.695 HD13 HG22 ' A' ' 64' ' ' THR . 0.3 OUTLIER -66.47 -46.06 77.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.04 -179.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -48.49 74.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.915 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 66' ' ' TRP . 27.2 m -68.5 -38.63 79.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.015 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 67' ' ' ALA . . . -55.29 -44.24 75.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.033 0.444 . . . . 0.0 110.404 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.483 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 0.2 OUTLIER -69.66 -37.31 76.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.465 179.265 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.36 -41.19 70.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.519 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.447 ' OE1' HD13 ' A' ' 49' ' ' LEU . 36.6 mm-40 -80.8 -42.46 21.66 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.97 -45.31 5.22 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.483 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 110.17 19.72 7.89 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.691 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.7 mt -86.63 117.93 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.769 0.319 . . . . 0.0 111.108 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.4 t -74.15 133.47 78.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.36 134.17 62.33 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.44 2.093 . . . . 0.0 112.474 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.418 HG23 ' HE1' ' A' ' 98' ' ' TYR . 39.0 t -114.75 -23.72 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.273 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.2 m -130.58 160.47 41.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.495 ' O ' HG23 ' A' ' 86' ' ' VAL . 84.6 p -90.45 150.44 21.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -61.53 -43.68 98.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -37.77 67.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.85 79.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.539 HG13 HD21 ' A' ' 95' ' ' LEU . 21.6 t -66.43 -50.98 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.191 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 83' ' ' ALA . 21.8 t -63.55 -27.84 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.295 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.92 -13.47 53.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.485 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.88 27.59 59.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.61 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -112.94 31.87 6.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.705 0.288 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -155.95 57.13 1.44 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -61.97 -39.79 48.09 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.591 2.194 . . . . 0.0 112.238 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.19 -44.57 88.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.022 0.439 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.23 -36.27 89.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.273 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.539 HD21 HG13 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -61.88 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 110.803 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.586 HG23 ' CD2' ' A' ' 9' ' ' LEU . 60.9 mt -64.12 -41.22 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.72 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.67 -33.97 72.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.738 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.418 ' HE1' HG23 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -68.59 -45.55 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.785 179.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.618 HD21 ' CH2' ' A' ' 32' ' ' TRP . 59.8 mt -59.06 -32.74 70.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.74 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 m -59.95 -36.74 77.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.717 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -74.31 -41.74 60.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -63.42 -37.43 87.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.781 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -64.06 -45.17 89.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 m -58.69 -38.39 78.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.44 -41.67 27.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.485 ' CE2' HD21 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.87 -31.05 71.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.532 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.84 0.353 . . . . 0.0 110.967 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -62.6 -46.74 86.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.464 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 6.6 pt-20 -66.22 -33.95 76.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.845 0.355 . . . . 0.0 111.082 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.599 HD13 HG23 ' A' ' 96' ' ' ILE . 73.8 mt -73.84 -46.82 42.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.777 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -63.48 -45.98 88.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.034 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -59.71 -42.4 92.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.009 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.497 ' CZ2' ' CD2' ' A' ' 103' ' ' HIS . 73.9 t90 -63.76 -44.14 94.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.781 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.8 t -64.53 -45.39 87.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -61.18 -41.08 96.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -66.28 -45.59 79.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.764 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.68 -28.88 62.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.751 HG23 ' CB ' ' A' ' 40' ' ' ALA . 57.8 m -91.33 7.42 41.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.453 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.13 143.87 33.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.2 -36.15 2.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -70.08 128.47 91.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.568 0.223 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.42 68.42 1.5 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.651 2.234 . . . . 0.0 112.525 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.7 38.41 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.287 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.743 HG21 HG22 ' A' ' 17' ' ' THR . 14.1 p -117.76 120.67 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.037 0.446 . . . . 0.0 111.214 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -121.51 68.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.651 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.671 HG23 HG22 ' A' ' 23' ' ' VAL . 21.2 t -71.95 93.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.367 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.8 m -148.51 20.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.35 142.53 39.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.455 HD11 HD11 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -98.83 39.18 1.29 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.805 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -168.76 -77.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.29 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.3 m -56.14 -39.08 71.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.349 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.35 -24.16 27.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.42 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.645 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 6.8 m95 -102.29 14.77 31.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.352 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.791 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -59.28 -54.24 49.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.415 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.849 ' CG ' HD23 ' A' ' 36' ' ' LEU . 18.1 p30 -87.95 10.06 20.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.544 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.96 30.89 77.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.697 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.904 HD21 ' CG ' ' A' ' 56' ' ' GLN . 1.6 mm? -74.03 -34.22 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.645 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -68.75 -46.95 67.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.259 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.827 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.3 mp -68.96 -45.95 69.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.181 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 93.7 m -66.36 -43.08 87.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.086 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.751 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -57.05 -45.97 82.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.164 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.0 mt -64.19 -50.53 67.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 38' ' ' LEU . 22.2 t -58.57 -39.19 74.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.358 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -69.23 -40.49 77.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.046 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -62.94 -30.66 71.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.032 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.747 HD13 ' CE2' ' A' ' 106' ' ' PHE . 1.6 mt -93.1 -50.48 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 6.9 pt20 -120.99 67.54 15.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.505 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.24 -27.52 34.77 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.587 2.192 . . . . 0.0 112.116 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.45 -15.45 72.91 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.63 34.41 4.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.693 0.282 . . . . 0.0 111.183 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.499 HD13 ' H ' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -148.85 158.62 44.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.968 0.413 . . . . 0.0 111.15 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.499 ' H ' HD13 ' A' ' 50' ' ' LEU . 31.0 mt-10 -148.33 71.09 10.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.29 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 56' ' ' GLN . 14.2 Cg_endo -56.37 -46.73 28.27 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.924 2.416 . . . . 0.0 112.655 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 p -54.0 -31.86 52.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.249 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.839 ' O ' HD13 ' A' ' 58' ' ' LEU . 53.0 tt0 -71.41 -50.31 33.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.508 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.442 ' N ' HD22 ' A' ' 55' ' ' LEU . 3.7 mm? -84.38 -9.62 58.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.938 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.904 ' CG ' HD21 ' A' ' 36' ' ' LEU . 2.4 tt0 -60.6 -37.56 81.77 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.46 -26.27 3.2 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.29 -0.957 . . . . 0.0 112.924 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.839 HD13 ' O ' ' A' ' 54' ' ' GLU . 1.8 mp -50.37 -34.62 24.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 111.263 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.31 150.69 6.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.715 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.791 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -77.24 -58.89 3.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.994 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.85 -37.6 76.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.6 -40.46 84.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.82 -42.77 97.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.091 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -46.8 78.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.19 -43.35 87.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.396 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.639 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.8 t90 -65.27 -49.96 67.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.992 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.7 -39.44 93.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.239 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.476 HD21 ' HB3' ' A' ' 79' ' ' PRO . 5.9 tp -65.38 -44.86 86.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -48.27 73.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.13 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 66' ' ' TRP . 32.7 m -68.49 -43.19 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.449 ' N ' HG23 ' A' ' 70' ' ' VAL . . . -55.48 -46.09 76.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 0.0 110.584 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 10.7 pt-20 -69.82 -37.1 76.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.596 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 3.8 m-20 -69.68 -41.34 75.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.478 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.78 -42.37 21.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -90.75 -33.99 15.52 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.22 26.97 16.94 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.43 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.2 mt -99.13 125.03 52.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.792 0.329 . . . . 0.0 111.185 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -74.14 133.63 78.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.476 ' HB3' HD21 ' A' ' 68' ' ' LEU . 52.9 Cg_exo -55.07 145.39 64.38 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.587 2.191 . . . . 0.0 112.436 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.4 t -117.76 -27.72 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.334 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 82' ' ' SER . 21.6 t -136.23 159.15 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 111.076 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.488 ' N ' HG12 ' A' ' 81' ' ' VAL . 0.4 OUTLIER -85.87 156.34 20.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.991 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.56 98.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -55.46 -37.71 68.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.42 -43.85 76.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 82' ' ' SER . 21.6 t -67.75 -51.07 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.249 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 50.8 t -63.04 -36.38 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.09 -13.44 53.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.418 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.94 28.1 71.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.523 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -98.62 30.98 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.486 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 7.8 m-20 -161.41 69.48 2.46 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.05 -40.58 41.75 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.662 2.241 . . . . 0.0 112.248 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.33 -36.39 73.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.443 ' HA3' HG21 ' A' ' 81' ' ' VAL . . . -73.18 -38.77 54.13 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.442 HD22 HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.01 -43.25 95.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.599 HG23 HD13 ' A' ' 9' ' ' LEU . 32.1 mm -67.76 -46.78 81.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.02 92.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -69.05 -48.23 63.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.07 -42.01 84.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.2 t -61.77 -36.9 82.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.51 -42.17 78.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.56 -46.73 81.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.003 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.497 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 18.7 t-160 -66.43 -51.26 58.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 93.0 p -63.33 -42.4 98.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.406 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.45 85.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.42 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.747 ' CE2' HD13 ' A' ' 45' ' ' LEU . 24.9 m-85 -83.75 1.92 40.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.39 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.87 0.367 . . . . 0.0 110.745 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.469 ' OE1' HD11 ' A' ' 96' ' ' ILE . 98.1 mm-40 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.57 -46.86 86.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.335 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -67.28 -31.7 72.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.064 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.687 HD22 HD12 ' A' ' 96' ' ' ILE . 1.1 mp -68.73 -48.66 63.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -63.7 -38.49 91.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.779 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -59.81 -42.52 93.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.014 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.496 ' CE2' ' CD2' ' A' ' 103' ' ' HIS . 45.7 t90 -67.71 -37.89 82.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -45.65 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.402 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 8.2 pt20 -65.2 -35.03 79.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.033 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -64.23 -45.82 86.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.432 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 17.5 mm-40 -70.73 -29.85 66.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.83 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.935 HG22 ' HB3' ' A' ' 40' ' ' ALA . 14.9 p -89.98 7.51 37.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.358 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.23 135.34 35.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.801 0.334 . . . . 0.0 111.099 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.52 -28.86 2.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.52 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.648 ' O ' HG12 ' A' ' 23' ' ' VAL . 50.9 m-85 -76.8 138.32 66.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.56 0.219 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.18 93.5 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.575 2.183 . . . . 0.0 112.507 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.93 -1.95 8.49 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.626 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 20' ' ' TYR . 11.0 p -78.47 120.63 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.955 0.407 . . . . 0.0 111.075 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -129.53 61.52 1.55 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.504 HG23 HG22 ' A' ' 23' ' ' VAL . 26.0 t -72.38 102.47 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.361 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -149.66 21.94 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -138.18 144.43 40.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.753 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.479 HD23 HD22 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -95.88 35.31 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.032 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.3 m -166.25 -71.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.379 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -56.86 -43.83 81.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.314 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.24 -29.95 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.279 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.458 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 33.9 m95 -89.17 -0.38 57.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.485 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.725 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -53.01 -58.9 5.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.708 0.29 . . . . 0.0 111.453 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.865 ' CG ' HD23 ' A' ' 36' ' ' LEU . 15.3 p30 -79.48 -6.92 57.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.3 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.63 34.96 59.42 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.548 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.894 HD21 ' HG2' ' A' ' 56' ' ' GLN . 2.1 mm? -74.95 -29.35 60.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.689 0.281 . . . . 0.0 111.08 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.458 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -66.41 -47.35 73.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 111.297 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.714 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -72.51 -34.83 67.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.436 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 10.5 m -69.18 -49.19 58.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.935 ' HB3' HG22 ' A' ' 17' ' ' THR . . . -58.84 -41.44 86.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.311 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.4 -52.56 64.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.011 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 38' ' ' LEU . 25.2 t -61.89 -49.63 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.206 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.427 ' HB2' ' HG3' ' A' ' 52' ' ' PRO . 50.0 t80 -54.82 -37.95 66.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.056 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -64.16 -43.14 96.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.978 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.687 HD22 ' CZ ' ' A' ' 106' ' ' PHE . 11.1 mp -76.28 -30.87 57.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.015 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -150.76 76.75 8.04 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.775 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 61.4 Cg_endo -73.28 -27.43 13.52 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.573 2.182 . . . . 0.0 112.32 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.72 -28.0 71.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.531 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.1 mt -105.99 25.59 10.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.672 0.272 . . . . 0.0 111.243 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.595 ' CD1' HG12 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -144.75 164.11 32.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 111.196 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 27.1 mt-10 -157.26 50.84 0.45 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.695 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 50' ' ' LEU . 20.3 Cg_endo -60.29 -17.36 46.29 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.73 2.287 . . . . 0.0 112.674 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.2 m -55.51 -41.28 72.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.053 0.454 . . . . 0.0 110.546 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.583 ' O ' HD13 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -71.68 -49.97 34.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.131 179.726 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 1.8 mt -73.95 -9.85 59.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.035 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.894 ' HG2' HD21 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -60.41 -34.29 73.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.32 . . . . 0.0 111.097 -179.328 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.09 -20.27 3.09 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.784 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -58.7 -33.6 70.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.882 0.372 . . . . 0.0 111.05 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.72 141.12 3.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.725 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -67.85 -57.28 6.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.452 HD11 ' N ' ' A' ' 84' ' ' GLN . 2.6 tp -60.56 -37.5 81.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -43.0 99.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.93 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -67.31 -43.31 81.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.245 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 m -67.34 -50.74 58.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.065 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.63 98.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.223 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.65 ' O ' HG22 ' A' ' 70' ' ' VAL . 50.3 t90 -66.91 -42.05 86.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 71' ' ' ALA . . . -67.08 -37.38 83.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.158 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.6 mt -64.57 -46.04 84.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -48.21 72.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.154 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 66' ' ' TRP . 27.6 m -68.48 -38.55 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.987 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 67' ' ' ALA . . . -55.41 -44.03 75.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.464 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.43 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 3.1 tt0 -70.05 -37.54 75.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.395 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -68.58 -41.5 79.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.22 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -80.94 -42.37 21.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.533 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.407 HD21 HD23 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -103.79 -63.69 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.642 -179.258 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 117.24 35.22 1.13 Allowed Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.481 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.898 HG21 ' CE1' ' A' ' 102' ' ' PHE . 23.1 mm -84.13 130.41 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -74.14 115.18 40.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -57.39 135.38 69.64 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.468 2.112 . . . . 0.0 112.336 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.548 ' O ' HG12 ' A' ' 80' ' ' VAL . 21.2 t -126.73 1.16 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.714 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.1 m -149.74 160.44 4.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.803 0.335 . . . . 0.0 111.063 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.7 OUTLIER -98.25 159.41 14.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -63.79 -43.61 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.452 ' N ' HD11 ' A' ' 61' ' ' LEU . 23.6 pt20 -57.99 -36.17 72.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.46 -45.14 73.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 82' ' ' SER . 21.6 t -61.8 -48.35 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 83' ' ' ALA . 45.1 t -64.68 -30.35 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.202 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.61 52.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.514 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.5 30.3 55.43 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.584 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 m -107.65 35.83 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 0.0 110.966 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.418 ' N ' ' HD3' ' A' ' 92' ' ' PRO . 1.2 t70 -157.14 62.42 2.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.067 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 91' ' ' ASP . 40.0 Cg_exo -56.93 -42.85 59.97 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.436 2.091 . . . . 0.0 112.178 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.36 -41.99 85.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.42 -38.24 96.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.325 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.479 HD22 HD23 ' A' ' 28' ' ' LEU . 1.3 mp -61.15 -42.88 99.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.687 HD12 HD22 ' A' ' 9' ' ' LEU . 36.5 mm -63.8 -45.52 96.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.76 -43.4 85.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.42 ' CE2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -69.24 -47.09 65.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.43 -32.88 72.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.7 -37.58 82.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -72.9 -42.6 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.898 ' CE1' HG21 ' A' ' 77' ' ' ILE . 9.3 m-85 -67.76 -40.05 84.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.496 ' CD2' ' CE2' ' A' ' 12' ' ' TRP . 19.5 t-160 -64.63 -51.35 63.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.7 t -57.18 -38.62 73.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.83 -43.99 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.687 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 3.0 m-85 -66.08 -31.6 72.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.825 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 tttp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.784 0.326 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.71 -46.95 85.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 1.9 pt-20 -64.98 -31.6 72.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.117 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -71.81 -39.74 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.955 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -43.05 98.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.042 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -66.0 -37.85 86.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.022 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.494 ' CE2' ' CD2' ' A' ' 103' ' ' HIS . 86.8 t90 -62.94 -39.81 95.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.025 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.1 t -66.61 -45.46 79.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.938 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -64.54 -38.25 90.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -45.54 79.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.767 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -34.62 76.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.83 ' HB ' HG21 ' A' ' 25' ' ' VAL . 59.7 m -88.26 7.47 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.399 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.85 148.48 31.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.16 -30.6 6.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.593 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -85.81 121.61 73.11 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.535 0.207 . . . . 0.0 110.784 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.68 120.74 6.29 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.438 2.092 . . . . 0.0 112.459 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.96 -28.07 14.22 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.257 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.45 120.47 29.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -105.16 139.73 39.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.738 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.83 HG21 ' HB ' ' A' ' 17' ' ' THR . 21.8 t -127.03 89.01 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.276 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.59 21.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.008 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -138.19 136.46 36.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.784 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.64 37.9 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.987 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -166.61 -70.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.029 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -57.8 -42.09 83.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.214 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -24.41 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.258 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.573 ' HH2' HD21 ' A' ' 99' ' ' LEU . 17.8 m95 -98.79 1.86 46.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.605 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.681 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -54.73 -59.64 4.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.685 0.279 . . . . 0.0 111.274 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.856 ' CG ' HD23 ' A' ' 36' ' ' LEU . 24.2 p30 -79.56 -2.96 44.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.243 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.04 26.83 63.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.631 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.856 HD23 ' CG ' ' A' ' 34' ' ' ASP . 1.4 mm? -67.66 -41.43 83.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.293 . . . . 0.0 110.96 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.437 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -60.0 -47.23 86.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.239 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.09 -45.99 75.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.422 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -61.54 -45.78 92.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.957 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.39 78.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.268 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.69 -52.42 64.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.58 -49.34 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CD1' ' CD ' ' A' ' 52' ' ' PRO . 63.6 t80 -56.52 -37.87 71.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.81 -42.34 99.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.504 HD13 ' CE2' ' A' ' 106' ' ' PHE . 11.1 mp -80.69 -37.29 31.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.497 ' O ' HD23 ' A' ' 50' ' ' LEU . 5.1 mm100 -139.51 72.78 36.71 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.769 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.439 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 59.2 Cg_endo -71.9 -25.73 19.57 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.59 2.193 . . . . 0.0 112.379 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.63 -37.34 77.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.701 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.876 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -102.16 30.03 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.713 0.292 . . . . 0.0 111.238 -179.663 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.891 HD11 HG21 ' A' ' 70' ' ' VAL . 2.8 mm? -140.02 166.73 23.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -155.35 61.55 2.98 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.419 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.452 ' CD ' ' CD1' ' A' ' 43' ' ' TYR . 19.4 Cg_endo -58.78 -35.97 97.79 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.958 2.439 . . . . 0.0 112.806 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 t -54.33 -36.53 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.124 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.59 ' O ' HD13 ' A' ' 58' ' ' LEU . 2.8 tt0 -71.75 -50.4 30.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.544 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.03 -9.64 59.6 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.818 ' CG ' HD21 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -60.43 -35.56 76.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.067 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -123.71 -8.59 6.2 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.324 -0.941 . . . . 0.0 113.346 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -72.2 -28.62 63.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.926 0.363 . . . . 0.0 111.175 -179.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.06 149.39 6.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.804 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.681 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -76.18 -57.15 4.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.826 0.346 . . . . 0.0 111.007 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.66 -37.59 79.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.802 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -63.8 -46.8 83.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.97 -42.2 97.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.53 -50.32 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.55 97.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.727 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -66.91 -48.9 67.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 71' ' ' ALA . . . -63.92 -38.92 92.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.2 tp -65.35 -46.02 81.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.032 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.16 -48.38 73.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.01 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.891 HG21 HD11 ' A' ' 50' ' ' LEU . 26.9 m -68.58 -38.55 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.075 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 67' ' ' ALA . . . -55.65 -46.27 77.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.665 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.458 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 10.7 pt-20 -70.11 -37.44 75.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.572 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -69.16 -41.63 76.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.282 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -81.11 -42.47 20.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.83 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.519 HD22 ' HB ' ' A' ' 77' ' ' ILE . 7.6 tt -96.43 -56.2 2.68 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -178.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 109.9 29.79 3.69 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.463 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.798 HD11 ' HB3' ' A' ' 101' ' ' HIS . 1.6 tt -95.81 128.71 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.322 . . . . 0.0 111.258 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 75.1 m -74.08 126.13 89.51 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.17 137.22 70.11 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.447 2.098 . . . . 0.0 112.276 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.5 t -113.48 -19.51 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.35 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 82' ' ' SER . 21.6 t -139.47 156.57 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.814 0.34 . . . . 0.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.443 ' N ' HG12 ' A' ' 81' ' ' VAL . 65.9 m -86.92 160.87 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -65.0 -42.83 94.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -60.84 -34.78 75.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.49 -46.58 69.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.398 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 87' ' ' VAL . 29.4 m -70.29 -45.16 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.422 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 83' ' ' ALA . 46.9 t -61.86 -33.0 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.026 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.54 52.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.474 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 56.14 27.35 51.76 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.662 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.17 36.65 2.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.74 63.64 5.96 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.51 -42.75 63.26 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.568 2.179 . . . . 0.0 112.303 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -40.89 96.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.96 -40.34 88.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.95 -42.71 94.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.8 mt -67.66 -41.19 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.92 98.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -68.67 -43.34 76.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.573 HD21 ' HH2' ' A' ' 32' ' ' TRP . 9.1 mt -59.32 -32.98 70.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.8 m -66.23 -37.04 84.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.798 ' HB3' HD11 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -69.88 -45.41 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.541 ' CE1' HG21 ' A' ' 77' ' ' ILE . 4.0 m-85 -68.14 -36.61 79.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.494 ' CD2' ' CE2' ' A' ' 12' ' ' TRP . 8.7 t-160 -62.85 -51.23 67.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.1 p -64.39 -43.78 93.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.946 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.99 -44.27 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.197 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.504 ' CE2' HD13 ' A' ' 45' ' ' LEU . 3.2 m-85 -65.88 -30.27 70.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.437 ' HD3' ' CD2' ' A' ' 103' ' ' HIS . 1.3 ttpt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 22.9 ptm . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.816 0.341 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 103.59 124.3 5.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -58.3 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -154.5 -55.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -171.61 -62.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -132.18 149.03 52.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -148.57 -47.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -132.09 -59.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.9 mtm -128.88 148.41 50.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -173.45 -58.18 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.34 -55.46 5.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.99 -29.66 70.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.32 -31.32 65.91 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.567 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -38.15 17.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -32.66 74.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.99 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.7 -46.87 86.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.39 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -70.31 -31.67 69.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.704 0.288 . . . . 0.0 111.051 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.437 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 20.8 mt -74.31 -48.56 27.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.79 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mt -63.45 -36.08 82.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -65.95 -44.38 85.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.431 ' CE2' ' CD2' ' A' ' 103' ' ' HIS . 87.2 t90 -67.73 -36.62 80.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.0 t -65.28 -45.43 84.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -63.33 -36.92 85.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.96 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.28 -45.64 79.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.802 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.78 -34.48 77.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.797 HG23 ' CB ' ' A' ' 40' ' ' ALA . 14.6 m -87.93 7.34 31.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.536 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.46 125.24 30.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.828 0.347 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.15 -31.52 1.95 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -76.84 121.43 84.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.577 0.227 . . . . 0.0 110.754 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.11 56.36 3.09 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.55 2.166 . . . . 0.0 112.707 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.99 36.29 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.654 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.433 HG13 HD12 ' A' ' 36' ' ' LEU . 22.3 t -138.08 120.84 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.09 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.86 125.82 53.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.73 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.638 HG21 ' CB ' ' A' ' 17' ' ' THR . 21.3 t -121.75 91.07 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.287 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.7 m -148.62 21.4 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.14 140.5 39.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.744 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.436 HD21 ' CG2' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -96.36 37.81 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.914 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.6 m -164.49 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.159 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -39.04 74.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.375 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.3 m -54.87 -26.5 35.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.32 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.605 ' HZ2' HD11 ' A' ' 99' ' ' LEU . 10.5 m95 -102.42 5.19 39.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.527 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.754 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -54.85 -60.97 2.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.761 0.315 . . . . 0.0 111.23 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.816 ' CG ' HD23 ' A' ' 36' ' ' LEU . 14.8 p30 -83.58 3.35 32.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.461 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.06 30.32 61.31 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.619 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.816 HD23 ' CG ' ' A' ' 34' ' ' ASP . 1.7 mm? -74.56 -46.03 41.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.68 0.276 . . . . 0.0 111.071 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.37 -47.18 87.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.833 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -66.83 -45.38 78.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.994 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.5 m -63.93 -42.62 97.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.797 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -57.81 -41.23 81.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.575 HD23 ' HE2' ' A' ' 106' ' ' PHE . 0.3 OUTLIER -68.22 -50.84 51.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 38' ' ' LEU . 12.1 t -57.94 -46.8 87.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.446 ' CG ' ' HG3' ' A' ' 52' ' ' PRO . 49.2 t80 -58.4 -37.99 76.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.952 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -37.73 88.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HG ' ' CE1' ' A' ' 106' ' ' PHE . 4.4 mm? -77.12 -42.03 39.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.46 76.97 74.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.442 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 36.0 Cg_endo -65.18 -27.18 56.73 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.539 2.159 . . . . 0.0 112.19 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.77 3.28 77.78 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.718 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.884 ' O ' HD22 ' A' ' 50' ' ' LEU . 4.3 mt -136.47 28.89 3.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.765 0.317 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.884 HD22 ' O ' ' A' ' 49' ' ' LEU . 1.8 mm? -143.28 163.72 32.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.0 0.429 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -147.81 65.1 8.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.54 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.446 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 12.1 Cg_endo -55.52 -52.37 7.8 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.757 2.305 . . . . 0.0 112.496 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.89 -29.62 42.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.839 ' O ' HD13 ' A' ' 58' ' ' LEU . 70.5 tt0 -71.51 -50.1 34.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.346 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.428 ' N ' HD22 ' A' ' 55' ' ' LEU . 3.9 mm? -84.3 -9.6 58.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.853 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.813 ' CG ' HD21 ' A' ' 36' ' ' LEU . 1.8 tt0 -60.56 -38.5 84.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.858 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -115.55 -25.92 3.56 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.875 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.839 HD13 ' O ' ' A' ' 54' ' ' GLU . 1.6 mp -49.25 -34.19 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.728 0.299 . . . . 0.0 111.343 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.28 155.53 7.9 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.852 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.754 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -78.78 -55.19 5.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.979 0.418 . . . . 0.0 111.043 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.694 HD23 HG21 ' A' ' 87' ' ' VAL . 21.7 mt -58.48 -40.1 81.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.31 -39.11 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.53 95.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.4 m -67.35 -50.6 59.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.56 96.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.305 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.697 ' O ' HG22 ' A' ' 70' ' ' VAL . 33.8 t90 -66.91 -50.04 63.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.95 95.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.7 mt -66.16 -41.36 90.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.63 -48.48 63.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.945 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 66' ' ' TRP . 27.1 m -68.45 -40.44 82.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.051 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.64 75.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.093 0.473 . . . . 0.0 110.244 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 45.9 tt0 -69.8 -37.43 76.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.444 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -71.02 -41.34 70.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.569 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.06 -42.32 21.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.088 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.77 -42.41 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 103.97 19.66 11.55 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.52 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.9 mm -95.78 116.06 36.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.862 0.363 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.9 m -74.31 132.96 78.3 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.9 148.54 37.5 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.572 2.181 . . . . 0.0 112.314 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.459 HG23 ' CD1' ' A' ' 98' ' ' TYR . 19.2 t -113.21 -25.02 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.253 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.482 HG21 ' HA3' ' A' ' 94' ' ' GLY . 21.6 t -133.97 158.34 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.98 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.833 ' O ' HG23 ' A' ' 86' ' ' VAL . 2.4 t -75.84 154.63 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -61.43 -43.51 98.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -55.88 -44.0 77.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.04 84.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 82' ' ' SER . 29.0 t -63.77 -51.12 73.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.694 HG21 HD23 ' A' ' 61' ' ' LEU . 22.0 t -63.17 -33.91 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.04 -13.5 52.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.572 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.63 32.29 83.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.8 p -102.31 36.45 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.67 70.42 4.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -62.04 -42.74 28.2 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.654 2.236 . . . . 0.0 112.056 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.44 -35.83 82.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.807 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.482 ' HA3' HG21 ' A' ' 81' ' ' VAL . . . -76.67 -39.8 28.5 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.654 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.515 HD11 HG13 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -64.53 -43.49 93.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.755 0.312 . . . . 0.0 111.0 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.436 ' CG2' HD21 ' A' ' 28' ' ' LEU . 2.0 pp -67.7 -41.12 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.016 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.14 96.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.459 ' CD1' HG23 ' A' ' 80' ' ' VAL . 1.1 t80 -61.41 -44.64 96.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.605 HD11 ' HZ2' ' A' ' 32' ' ' TRP . 1.3 mt -58.11 -34.33 70.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.662 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.2 m -64.61 -38.3 90.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.676 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.47 -43.67 93.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.405 ' O ' ' CD2' ' A' ' 106' ' ' PHE . 21.0 m-85 -68.21 -37.87 81.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.709 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.431 ' CD2' ' CE2' ' A' ' 12' ' ' TRP . 11.9 t-160 -67.6 -45.47 75.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.85 -37.31 73.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.575 ' HE2' HD23 ' A' ' 41' ' ' LEU . 1.4 m-85 -87.19 -33.65 19.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -60.66 -32.14 71.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m -109.45 -60.82 1.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 12.3 ttm . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.845 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 77.3 mtp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.818 0.342 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 104.81 119.37 4.6 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -68.02 179.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -136.61 136.57 39.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -176.19 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -160.21 -45.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -70.56 66.33 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.22 145.73 29.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.7 ttt -120.69 115.74 23.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.033 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 125.29 -49.13 0.92 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.92 -47.97 23.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.728 0.299 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.2 73.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.99 -23.02 50.51 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.64 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.441 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -97.43 -42.31 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.908 0.385 . . . . 0.0 111.006 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -33.03 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.05 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -65.49 -38.99 91.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.054 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -62.46 -46.47 88.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.005 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 5' ' ' THR . 0.8 OUTLIER -69.53 -36.48 76.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.614 HD11 HD11 ' A' ' 28' ' ' LEU . 11.5 mt -63.55 -46.18 87.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -66.28 -32.41 73.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.058 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.446 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 52.4 t90 -67.82 -49.47 62.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.898 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -62.8 -45.4 92.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -43.39 98.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.29 -45.78 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 110.698 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -70.76 -28.51 64.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.871 HG23 ' CB ' ' A' ' 40' ' ' ALA . 59.1 m -88.1 7.5 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.44 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.65 140.99 31.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.793 0.33 . . . . 0.0 111.11 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.41 -24.53 3.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.612 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.625 ' O ' HG23 ' A' ' 23' ' ' VAL . 15.0 m-85 -86.1 145.11 39.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.675 0.274 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.21 62.76 1.46 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.555 2.17 . . . . 0.0 112.344 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.02 39.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.291 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 20' ' ' TYR . 40.2 t -88.89 120.8 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.024 0.44 . . . . 0.0 111.027 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -144.08 38.61 1.31 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.599 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.534 HG21 HG21 ' A' ' 17' ' ' THR . 21.3 t -66.24 97.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.301 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.2 m -146.16 20.84 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -138.22 146.94 43.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.528 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.614 HD11 HD11 ' A' ' 10' ' ' LEU . 1.8 mp -99.66 39.38 1.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.03 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -169.58 -80.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.386 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.6 t -57.83 -24.22 56.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.52 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.5 t -68.47 -31.97 71.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.34 . . . . 0.0 111.091 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 13.8 m95 -94.12 14.62 19.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.43 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.43 -56.52 19.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.788 0.328 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.619 ' CG ' HD23 ' A' ' 36' ' ' LEU . 11.8 p30 -86.49 0.7 53.69 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.363 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.34 36.79 79.13 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.736 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.709 HD21 ' HG3' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -74.96 -36.69 62.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 111.197 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.468 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -68.66 -47.1 67.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.509 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 42' ' ' VAL . 16.9 tp -64.03 -46.19 85.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.212 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 74.9 m -70.35 -39.02 74.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.904 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.871 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -56.57 -39.73 73.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 110.998 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.16 -52.38 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 38' ' ' LEU . 18.9 t -59.2 -36.36 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -66.19 -37.95 86.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.853 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.68 -42.58 99.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.554 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.45 -35.56 34.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.417 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.666 ' HB2' HD12 ' A' ' 49' ' ' LEU . 3.7 mt-30 -141.93 92.05 7.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.419 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.62 -50.88 2.15 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.571 2.181 . . . . 0.0 112.365 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.21 -17.64 56.33 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.83 ' HB3' HD12 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -53.61 -66.45 0.39 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.627 0.251 . . . . 0.0 111.435 -179.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.861 HD23 ' CE3' ' A' ' 66' ' ' TRP . 0.7 OUTLIER -135.23 157.64 46.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.969 0.414 . . . . 0.0 111.378 -179.566 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -108.01 81.24 1.19 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.527 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HB3' ' HB3' ' A' ' 39' ' ' CYS . 9.8 Cg_endo -51.69 -30.77 38.39 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.778 2.319 . . . . 0.0 112.589 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -48.65 71.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.913 0.387 . . . . 0.0 111.159 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.5 ' O ' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -71.37 -50.14 35.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.711 -179.729 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.694 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 50.8 mt -70.99 -10.2 59.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.88 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.709 ' HG3' HD21 ' A' ' 36' ' ' LEU . 15.2 tt0 -60.85 -39.93 90.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.7 0.286 . . . . 0.0 111.324 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.34 -18.22 5.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.745 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -54.96 -32.01 61.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.841 0.353 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.11 132.23 1.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.478 -0.867 . . . . 0.0 112.552 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.1 -65.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.329 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.89 -37.46 84.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -45.29 92.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.15 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.78 -43.75 95.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.178 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -50.64 60.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.354 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.78 94.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.441 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.861 ' CE3' HD23 ' A' ' 50' ' ' LEU . 1.6 t90 -67.03 -37.91 84.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.543 ' HA ' HD22 ' A' ' 50' ' ' LEU . . . -70.53 -42.37 71.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.556 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.77 -42.91 76.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.682 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -69.06 -48.53 62.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.563 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.807 ' HB ' HD21 ' A' ' 50' ' ' LEU . 40.7 t -68.57 -44.55 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.207 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.22 -39.5 69.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.159 0.504 . . . . 0.0 109.922 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -37.02 75.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.251 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.99 -42.14 58.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.701 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.693 ' HB2' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -81.54 -42.59 19.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.659 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.08 -30.25 21.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.55 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.07 26.84 32.89 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 101' ' ' HIS . 15.9 tt -107.37 126.28 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -74.24 135.31 76.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.031 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.65 158.87 18.53 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.528 2.152 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.482 HG21 ' HA ' ' A' ' 98' ' ' TYR . 21.5 t -118.54 -26.15 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.453 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.492 HG22 ' N ' ' A' ' 82' ' ' SER . 10.7 p -144.36 158.79 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.492 ' N ' HG22 ' A' ' 81' ' ' VAL . 45.4 m -77.91 146.34 35.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.006 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.32 -43.7 92.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -54.8 -38.32 67.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.047 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.507 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.36 -41.07 81.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 82' ' ' SER . 21.5 t -66.87 -48.9 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.282 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 p -61.32 -34.71 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.277 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.08 -13.45 53.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.543 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.43 27.04 60.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.546 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.9 m -103.83 30.9 4.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.959 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.507 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 1.9 m-20 -159.83 70.76 3.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.01 -41.44 36.46 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.618 2.212 . . . . 0.0 112.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.25 -36.22 72.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.44 -39.85 49.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.615 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.445 HD21 ' CE2' ' A' ' 32' ' ' TRP . 0.7 OUTLIER -61.16 -43.08 99.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.659 0.266 . . . . 0.0 110.95 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.8 mm -67.24 -41.21 86.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.93 -39.09 80.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.482 ' HA ' HG21 ' A' ' 80' ' ' VAL . 5.8 t80 -69.39 -42.3 75.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.491 HD11 ' SG ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER -62.91 -34.49 77.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.9 m -59.67 -41.06 89.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.677 ' HB3' HD11 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -70.0 -44.81 68.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.475 ' CD2' ' CE1' ' A' ' 106' ' ' PHE . 0.2 OUTLIER -68.31 -41.58 80.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -65.48 -43.59 89.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 m -65.58 -38.48 89.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.97 -37.27 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.475 ' CE1' ' CD2' ' A' ' 102' ' ' PHE . 3.2 m-85 -65.81 -32.56 74.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -63.04 -30.84 71.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m -60.17 -42.7 95.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 1.2 ptp . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.806 0.336 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 143.66 88.67 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.606 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -117.57 84.62 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.84 108.62 12.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -148.51 84.11 1.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.39 69.98 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -150.38 126.68 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.818 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 7.0 t60 63.22 95.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.7 ttm -131.35 109.64 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -130.74 -67.4 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -61.68 -59.06 5.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.956 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.37 71.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.3 -26.95 59.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.6 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.418 ' O ' HD23 ' A' ' 9' ' ' LEU . 8.9 m -83.14 -47.96 11.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -63.45 -32.89 74.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.085 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -46.82 86.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 4.1 pt-20 -66.28 -31.7 72.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.009 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 9' ' ' LEU . 2.5 mm? -64.74 -48.72 73.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.831 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.859 HD13 HD12 ' A' ' 28' ' ' LEU . 6.5 tp -63.49 -35.46 80.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.82 -44.19 94.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.497 ' CZ2' ' CD2' ' A' ' 103' ' ' HIS . 58.3 t90 -67.67 -47.36 69.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.73 -45.46 94.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.045 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.626 ' HA ' HG22 ' A' ' 17' ' ' THR . 18.1 tm0? -62.75 -34.91 78.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -66.4 -45.52 79.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.779 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.428 ' HG3' ' CZ3' ' A' ' 12' ' ' TRP . 13.4 mm-40 -67.7 -35.13 78.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.22 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.772 HG21 ' CG2' ' A' ' 25' ' ' VAL . 11.9 t -87.32 7.45 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.44 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.78 136.68 36.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.881 0.372 . . . . 0.0 111.071 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.32 -35.6 2.47 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.419 ' CE1' ' HB1' ' A' ' 40' ' ' ALA . 67.9 m-85 -70.09 136.46 87.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.544 0.211 . . . . 0.0 110.791 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.68 107.21 2.41 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.505 2.137 . . . . 0.0 112.447 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.07 -24.79 15.46 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.343 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.46 120.6 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.915 0.388 . . . . 0.0 111.196 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -134.56 71.89 1.45 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.665 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.772 ' CG2' HG21 ' A' ' 17' ' ' THR . 44.6 t -68.89 106.73 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.389 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.611 ' C ' HD21 ' A' ' 10' ' ' LEU . 62.3 m -151.73 21.03 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.945 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -138.35 148.58 44.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.742 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.859 HD12 HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -94.35 35.95 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.052 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -163.78 -69.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.8 0.333 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -46.08 91.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.465 ' HB3' HG13 ' A' ' 25' ' ' VAL . 21.6 m -52.67 -26.19 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.538 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.4 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 21.2 m95 -102.89 -2.01 28.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.676 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.541 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -51.96 -47.82 64.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.673 0.273 . . . . 0.0 111.475 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.66 ' CG ' HD23 ' A' ' 36' ' ' LEU . 9.9 p30 -95.33 -6.96 39.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.332 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.72 36.25 26.32 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.565 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.66 HD23 ' CG ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -75.0 -39.96 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.733 0.301 . . . . 0.0 111.117 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.426 ' O ' HD12 ' A' ' 41' ' ' LEU . . . -62.14 -47.32 85.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.318 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -69.72 -42.36 74.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.838 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.8 m -64.15 -48.69 75.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' HB1' ' CE1' ' A' ' 20' ' ' TYR . . . -56.86 -42.67 80.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.318 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 38' ' ' LEU . 9.6 mt -59.64 -51.74 68.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.027 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 38' ' ' LEU . 24.6 t -61.66 -49.62 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.229 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.416 ' HB2' ' HG3' ' A' ' 52' ' ' PRO . 42.5 t80 -57.95 -37.96 75.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.058 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -63.09 -40.07 96.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.178 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.455 ' CD2' ' CZ ' ' A' ' 106' ' ' PHE . 3.8 mm? -83.18 -36.52 24.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.168 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.443 ' CD ' HD12 ' A' ' 49' ' ' LEU . 1.2 mm-40 -138.87 70.74 42.85 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.65 -26.32 16.45 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.544 2.163 . . . . 0.0 112.136 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.24 -7.8 88.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.808 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.443 HD12 ' CD ' ' A' ' 46' ' ' GLN . 61.1 mt -124.6 23.33 8.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.708 0.289 . . . . 0.0 111.228 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.525 HD23 ' HD3' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -147.74 162.73 38.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.915 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.503 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 19.6 mt-10 -148.21 46.75 0.47 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.525 ' HD3' HD23 ' A' ' 50' ' ' LEU . 18.7 Cg_endo -60.01 -17.52 45.23 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.485 2.124 . . . . 0.0 112.669 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -41.64 67.36 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.945 0.402 . . . . 0.0 110.571 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.81 -49.31 39.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.687 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 1.3 mt -69.35 -10.17 56.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.963 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.497 ' CD ' HD11 ' A' ' 36' ' ' LEU . 7.5 mt-30 -60.57 -34.8 74.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.733 0.301 . . . . 0.0 110.944 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.94 -4.0 6.78 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.903 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.21 -29.6 57.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.29 141.5 3.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.541 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -71.0 -55.57 8.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 111.044 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.9 mt -58.73 -41.5 86.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.5 -46.82 84.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -64.55 -43.19 94.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.443 HG21 ' HA ' ' A' ' 83' ' ' ALA . 5.1 m -67.28 -50.66 59.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.56 -43.68 89.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.229 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.602 ' O ' HG23 ' A' ' 70' ' ' VAL . 54.8 t90 -67.0 -48.53 68.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.03 94.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.264 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.426 HD12 HG22 ' A' ' 64' ' ' THR . 15.8 mt -64.31 -46.21 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -48.27 80.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.042 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 66' ' ' TRP . 36.9 t -68.51 -40.1 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.001 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.26 77.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.612 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.464 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 11.1 pt-20 -70.1 -37.12 75.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.433 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.405 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -69.32 -41.02 77.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.535 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -80.78 -42.42 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.799 HD23 HD11 ' A' ' 77' ' ' ILE . 3.5 mp -96.18 -37.43 10.57 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 97.34 23.01 15.24 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.421 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.799 HD11 HD23 ' A' ' 75' ' ' LEU . 18.2 mt -91.49 123.99 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.779 0.323 . . . . 0.0 111.229 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 78' ' ' THR . 8.9 t -74.14 119.97 79.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.02 148.23 39.89 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.473 2.115 . . . . 0.0 112.376 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.598 ' O ' HG12 ' A' ' 80' ' ' VAL . 24.0 t -128.03 4.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.524 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.4 m -149.72 160.33 5.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.676 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.2 m -101.23 154.64 18.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.793 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.443 ' HA ' HG21 ' A' ' 64' ' ' THR . . . -59.92 -43.7 94.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -55.25 -40.99 71.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.035 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.458 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.56 -37.15 79.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.1 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 82' ' ' SER . 19.4 t -66.12 -51.0 64.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 83' ' ' ALA . 21.3 t -64.34 -26.77 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.93 -13.6 53.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.521 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.5 27.19 47.48 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.645 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.88 42.34 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.458 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 2.2 t70 -144.6 62.61 9.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.02 -42.76 28.23 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.585 2.19 . . . . 0.0 112.343 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.4 mp -61.67 -38.36 87.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.15 -38.88 38.63 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.17 -43.26 99.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.3 mt -67.77 -45.88 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.73 92.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -63.41 -47.07 83.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.65 -32.85 73.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.781 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -43.67 96.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.86 -46.48 74.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 0.2 OUTLIER -61.73 -38.98 89.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.706 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.497 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 14.4 t-160 -68.06 -41.53 81.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -43.94 88.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.9 -31.8 66.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.455 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 3.4 m-30 -73.96 -31.16 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.77 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -88.54 -31.89 18.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.012 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.9 t -57.85 -35.37 70.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.974 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.986 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 6.3 mtt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.846 0.355 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -109.71 64.35 0.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.437 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -73.44 106.22 5.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -128.8 -46.4 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -142.3 133.39 26.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -125.43 -177.91 4.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -103.58 161.88 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -93.74 -31.32 14.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.43 99.74 8.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -148.5 -86.6 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -65.62 -40.59 92.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.32 18.91 10.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.376 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.92 -34.55 1.24 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.398 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 t -70.67 -39.23 73.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.474 ' O ' HD12 ' A' ' 10' ' ' LEU . 30.4 mt-30 -63.48 -32.97 74.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.21 -46.91 84.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.267 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -63.46 -31.47 72.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.169 -179.716 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.488 ' CD1' HG23 ' A' ' 96' ' ' ILE . 58.3 mt -67.93 -44.59 76.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.915 0.388 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.612 HD23 ' HA ' ' A' ' 26' ' ' SER . 2.2 mp -63.52 -34.81 78.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -65.31 -44.33 88.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.436 ' CH2' ' HG3' ' A' ' 16' ' ' GLN . 83.1 t90 -67.68 -40.31 84.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.737 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.94 -44.64 84.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -60.87 -41.29 95.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.3 -45.59 79.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.603 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.436 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 23.9 mm100 -67.15 -31.76 72.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.541 ' O ' HG22 ' A' ' 17' ' ' THR . 46.9 m -87.77 7.35 30.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.431 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.88 125.35 29.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.838 0.351 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.03 -28.41 1.13 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 24.2 m-85 -88.93 121.4 69.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.476 0.179 . . . . 0.0 110.727 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 20.5 Cg_exo -65.81 68.38 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.556 2.171 . . . . 0.0 112.62 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.46 -27.54 0.68 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.994 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.428 ' CG2' HD12 ' A' ' 36' ' ' LEU . 21.0 t -78.5 122.55 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.961 0.41 . . . . 0.0 111.387 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.52 116.92 17.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.445 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.512 ' CG2' HG21 ' A' ' 17' ' ' THR . 19.4 t -96.77 88.4 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.585 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.612 ' HA ' HD23 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -146.15 18.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.981 179.487 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -138.2 140.66 39.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.552 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.487 ' CD1' HD11 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -95.98 37.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.051 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -159.66 -78.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.447 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 m -59.95 -39.69 86.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.382 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 t -52.53 -29.76 26.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.396 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.56 ' HZ3' HD12 ' A' ' 38' ' ' LEU . 9.1 m95 -110.24 12.07 23.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.567 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.576 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -56.86 -57.13 13.83 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.745 0.307 . . . . 0.0 111.252 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.845 ' CG ' HD23 ' A' ' 36' ' ' LEU . 18.7 p30 -89.36 8.76 29.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.353 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.86 33.36 87.04 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.636 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.925 HD21 ' CG ' ' A' ' 56' ' ' GLN . 1.4 mm? -75.0 -36.03 61.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.779 0.323 . . . . 0.0 111.131 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -64.4 -47.16 80.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.178 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.56 HD12 ' HZ3' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -65.45 -45.82 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.893 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.61 84.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.799 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.451 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -58.2 -39.38 78.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.075 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.87 -50.51 41.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.781 HG12 HD11 ' A' ' 50' ' ' LEU . 30.8 t -60.51 -49.65 83.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.249 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.426 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 75.5 t80 -56.46 -37.91 70.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.068 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -62.86 -41.35 99.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.547 HD23 ' CE2' ' A' ' 106' ' ' PHE . 3.9 mm? -73.78 -38.31 64.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.783 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.14 72.27 60.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.796 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.426 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 37.9 Cg_endo -66.48 -27.42 46.59 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.515 2.143 . . . . 0.0 111.941 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.19 0.12 88.76 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.622 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.0 mt -130.76 29.34 4.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.714 0.292 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.781 HD11 HG12 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -151.44 177.13 10.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.971 0.415 . . . . 0.0 111.113 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -163.48 63.06 1.19 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.495 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' GLN . 18.5 Cg_endo -58.67 -35.4 98.7 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.871 2.381 . . . . 0.0 112.676 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -54.28 -35.64 62.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.56 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.752 ' O ' HD13 ' A' ' 58' ' ' LEU . 5.2 tt0 -71.61 -49.93 35.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.472 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 63' ' ' ALA . 3.5 mt -81.41 -9.47 59.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.894 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.925 ' CG ' HD21 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -60.28 -33.63 72.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.632 0.253 . . . . 0.0 111.612 -179.085 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.16 -23.86 2.59 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.35 -0.928 . . . . 0.0 112.981 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.752 HD13 ' O ' ' A' ' 54' ' ' GLU . 1.8 mp -56.47 -35.41 67.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.862 0.363 . . . . 0.0 111.145 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.66 147.74 6.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.62 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.41 -54.93 5.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.818 0.342 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.59 -41.9 91.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.33 -46.92 84.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.516 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . . . -64.22 -43.58 94.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 83' ' ' ALA . 3.3 m -66.91 -50.71 61.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.006 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.58 96.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.602 ' O ' HG23 ' A' ' 70' ' ' VAL . 46.8 t90 -67.04 -39.0 86.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.835 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.64 -37.3 73.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.204 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.42 HD21 ' HB2' ' A' ' 79' ' ' PRO . 1.4 tp -64.67 -43.29 94.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.3 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -48.57 66.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.176 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 66' ' ' TRP . 26.7 t -68.53 -40.2 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.102 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.09 -44.93 79.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.032 0.444 . . . . 0.0 110.239 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.427 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 2.4 tt0 -69.83 -37.44 76.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.473 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -71.72 -41.43 68.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.579 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -81.18 -42.39 20.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.927 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -91.38 -34.87 14.7 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.803 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 89.29 27.42 23.01 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.223 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.892 HD11 ' HB3' ' A' ' 101' ' ' HIS . 11.2 tt -106.65 126.6 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.3 . . . . 0.0 111.16 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.05 130.21 83.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.448 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 71.9 Cg_endo -76.68 142.28 22.79 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.618 2.212 . . . . 0.0 112.505 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.607 ' O ' HG12 ' A' ' 80' ' ' VAL . 17.7 t -126.58 21.44 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 p -149.76 152.71 11.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -98.49 151.79 20.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.94 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.461 ' HA ' HG21 ' A' ' 64' ' ' THR . . . -60.41 -43.62 96.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -54.91 -40.2 69.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.225 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.88 79.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 82' ' ' SER . 39.1 t -67.68 -47.92 78.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.362 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 33' ' ' ALA . 12.5 p -61.34 -32.22 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.323 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.02 -13.63 52.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.585 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.36 24.15 36.62 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.608 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 p -107.54 42.87 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.955 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -158.2 70.24 3.93 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.99 -42.84 27.95 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.628 2.219 . . . . 0.0 112.298 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.32 -36.11 75.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.35 -42.91 33.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.454 HD21 ' CD2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -61.81 -43.17 99.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.303 . . . . 0.0 110.949 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.488 HG23 ' CD1' ' A' ' 9' ' ' LEU . 20.6 mt -67.79 -44.96 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.07 93.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.448 ' CE1' ' HA ' ' A' ' 79' ' ' PRO . 5.3 t80 -69.13 -38.59 78.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.556 HD11 ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -58.24 -35.06 71.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.0 m -60.03 -44.24 94.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.892 ' HB3' HD11 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -64.39 -45.0 89.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.802 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -40.59 96.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.742 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.433 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 34.0 t-80 -65.95 -45.96 79.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.0 t -59.59 -43.94 93.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.55 -44.35 64.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.547 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.4 m-85 -69.23 -27.84 65.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -57.42 -39.78 76.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 t -61.49 -31.09 71.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.84 0.353 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 163.5 -61.64 0.26 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.442 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.94 151.18 44.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.731 0.3 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.6 -176.47 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.836 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -145.87 164.07 33.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -142.61 -170.95 3.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -100.8 -58.96 1.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -151.01 104.94 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.7 tpt -157.07 157.0 33.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.776 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 141.8 -58.08 0.57 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -32.89 74.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.731 0.3 . . . . 0.0 110.858 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.39 -38.06 50.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.21 -28.44 66.23 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.54 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -68.31 -53.2 25.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.47 -32.73 74.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.11 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.53 -46.98 85.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 1.7 pt-20 -64.72 -31.43 72.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.962 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.523 ' CD2' HG23 ' A' ' 96' ' ' ILE . 55.0 tp -70.57 -48.49 55.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.916 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -34.87 78.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -65.57 -41.05 93.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.427 ' CH2' ' HG3' ' A' ' 16' ' ' GLN . 80.4 t90 -67.66 -44.88 76.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.2 t -59.79 -45.5 92.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.033 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -62.37 -37.5 85.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -45.73 80.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 24.5 mm-40 -66.99 -27.12 67.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.962 HG22 ' HB3' ' A' ' 40' ' ' ALA . 2.2 p -88.16 7.5 31.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.375 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.55 144.79 31.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.855 0.36 . . . . 0.0 111.051 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.55 -22.22 4.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.654 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 10.4 m-85 -92.11 132.65 31.92 Favored Pre-proline 0 C--N 1.33 -0.264 0 O-C-N 122.857 -0.202 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 18.4 Cg_exo -66.22 63.15 0.49 Allowed 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.597 2.198 . . . . 0.0 112.326 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.73 41.31 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.139 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 23' ' ' VAL . 14.8 p -90.06 120.77 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 0.0 111.191 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -129.85 78.78 1.87 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.577 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 t -113.76 88.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.239 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.21 22.37 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' A' ' 31' ' ' SER . 14.4 m-20 -138.12 148.98 45.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.644 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 mt -98.52 38.51 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.049 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 t -173.9 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.328 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -55.74 -26.45 45.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.65 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 27' ' ' ASP . 14.9 t -68.43 -30.67 69.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.962 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 19.0 m95 -97.9 14.31 27.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.408 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.696 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -54.3 -57.41 11.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.835 0.35 . . . . 0.0 111.163 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.822 ' CG ' HD23 ' A' ' 36' ' ' LEU . 17.4 p30 -86.5 -0.25 55.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.248 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.29 37.23 70.93 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.542 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.859 HD21 ' HG2' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -75.03 -35.96 61.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.671 0.272 . . . . 0.0 111.334 -179.726 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.575 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -65.54 -47.44 75.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.824 0.345 . . . . 0.0 111.266 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -69.69 -38.55 77.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.41 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 2.9 m -67.49 -48.6 66.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.837 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.962 ' HB3' HG22 ' A' ' 17' ' ' THR . . . -55.63 -41.08 73.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.229 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 38' ' ' LEU . 13.2 mt -62.73 -50.21 71.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 38' ' ' LEU . 45.0 t -60.82 -48.97 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.43 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 58.6 t80 -55.46 -37.92 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.004 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -43.14 99.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.448 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.2 mm? -74.73 -40.31 61.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.728 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.82 78.58 14.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.594 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 59.0 Cg_endo -72.21 -28.61 15.31 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.609 2.206 . . . . 0.0 112.396 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.72 -34.65 72.64 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.561 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.559 ' O ' HD12 ' A' ' 50' ' ' LEU . 1.9 mt -95.5 22.02 7.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.652 0.263 . . . . 0.0 111.396 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -144.47 166.0 26.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.023 0.44 . . . . 0.0 111.198 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 3.2 mm-40 -156.99 49.4 0.38 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.509 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 17.9 Cg_endo -59.0 -18.39 42.83 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.708 2.272 . . . . 0.0 112.69 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.1 m -54.56 -44.64 73.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.028 0.442 . . . . 0.0 110.375 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.858 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -71.73 -50.04 33.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.761 179.475 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.569 HD23 ' OE1' ' A' ' 62' ' ' GLU . 1.4 mt -67.96 -9.97 49.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.684 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.859 ' HG2' HD21 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -60.67 -39.8 89.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.671 0.272 . . . . 0.0 111.057 -179.674 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.07 -9.94 6.49 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.88 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.858 HD12 ' O ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -68.5 -24.92 64.73 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.691 -0.299 . . . . 0.0 110.924 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.49 141.82 3.41 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.572 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.41 -59.56 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 111.002 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -37.51 82.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.569 ' OE1' HD23 ' A' ' 55' ' ' LEU . 10.2 tt0 -64.62 -42.67 95.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.96 -43.65 95.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -66.09 -50.48 63.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.983 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.214 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.6 ' O ' HG22 ' A' ' 70' ' ' VAL . 8.7 t90 -66.94 -47.88 70.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.02 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.3 84.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.32 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.35 -46.07 85.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.246 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.21 -48.46 73.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.16 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 66' ' ' TRP . 31.5 m -68.54 -39.37 80.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.284 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.87 -46.32 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.615 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 8.2 pt-20 -69.79 -36.96 76.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.461 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.404 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 1.5 m-80 -69.7 -41.0 75.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.541 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.83 -42.46 21.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 75' ' ' LEU . 6.6 mp -92.05 -32.24 15.26 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 89.11 28.68 19.81 Favored Glycine 0 CA--C 1.517 0.169 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.307 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.47 HG23 ' CE1' ' A' ' 101' ' ' HIS . 18.8 mt -107.41 123.62 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 111.13 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.4 m -74.77 129.06 84.28 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.6 149.75 38.37 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.465 2.11 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 80' ' ' VAL . 21.8 t -127.03 1.5 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.705 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.9 m -145.74 160.33 12.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.748 0.308 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.12 156.33 19.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.826 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.8 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -65.05 -43.57 91.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -63.93 -33.49 75.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.53 -46.25 70.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.423 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.765 HG23 ' CD2' ' A' ' 95' ' ' LEU . 9.1 p -70.34 -43.02 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.226 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 83' ' ' ALA . 48.5 t -64.34 -39.19 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 111.104 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.01 -13.49 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.462 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.69 30.31 76.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.546 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 p -98.54 31.1 2.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.55 71.35 2.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -62.0 -42.15 32.08 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.586 2.191 . . . . 0.0 112.232 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.8 mt -58.23 -36.22 72.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.64 -42.83 45.85 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.572 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.765 ' CD2' HG23 ' A' ' 86' ' ' VAL . 34.6 mt -60.1 -43.17 95.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 111.039 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.523 HG23 ' CD2' ' A' ' 9' ' ' LEU . 50.5 mt -67.88 -41.1 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.996 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.12 96.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -69.1 -41.47 77.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.38 -33.25 70.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.762 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t -62.99 -36.73 84.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.785 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.47 ' CE1' HG23 ' A' ' 77' ' ' ILE . 4.3 t-80 -70.31 -39.11 75.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.745 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.404 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 13.3 m-85 -68.14 -38.19 81.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -63.39 -48.49 77.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.2 m -59.36 -37.52 78.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.91 -40.57 39.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.448 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.2 m-85 -65.68 -31.59 72.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -68.43 -42.13 79.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.57 -64.66 0.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -8' ' ' MET . . . . . 0.407 ' O ' ' CD2' ' A' ' -4' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.829 0.347 . . . . 0.0 111.193 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 76.68 58.27 3.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 34.4 m170 59.69 28.08 17.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.705 0.288 . . . . 0.0 110.969 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 57.78 97.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' -8' ' ' MET . 0.7 OUTLIER -154.75 170.33 21.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.98 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 60.16 31.19 20.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -130.84 130.35 43.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.89 85.59 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.804 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.87 106.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -104.71 -57.31 0.7 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.568 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -81.84 -43.18 18.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.87 0.367 . . . . 0.0 110.973 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.65 -27.94 55.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.36 -26.64 65.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.673 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.4 m -68.17 -51.81 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.984 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -63.52 -32.9 74.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.021 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -46.8 86.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.21 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 3.8 pt-20 -65.62 -31.59 72.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.138 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 9' ' ' LEU . 11.0 mt -67.43 -48.53 67.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.056 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -34.9 76.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.062 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -66.0 -40.74 91.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -67.6 -44.14 78.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.225 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.785 ' SG ' HD21 ' A' ' 99' ' ' LEU . 1.8 m -60.59 -45.6 93.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.076 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -66.18 -39.11 89.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.083 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.34 -45.57 79.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.805 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -68.74 -33.62 74.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.078 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.757 ' HB ' HG21 ' A' ' 25' ' ' VAL . 55.5 m -90.73 7.43 39.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.537 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.11 125.37 30.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.737 0.303 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.6 -32.34 2.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.675 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 47.7 m-85 -76.82 121.31 84.58 Favored Pre-proline 0 C--N 1.33 -0.27 0 O-C-N 122.863 -0.198 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 20.3 Cg_exo -65.73 117.23 4.45 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.489 2.126 . . . . 0.0 112.249 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.27 -26.94 15.2 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.417 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.44 120.49 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.976 0.417 . . . . 0.0 111.149 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.49 86.39 2.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.696 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.757 HG21 ' HB ' ' A' ' 17' ' ' THR . 21.5 t -73.37 94.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.51 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.66 19.97 0.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -138.37 137.25 37.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.699 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 mt -94.27 36.74 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 t -163.5 -70.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.037 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -33.42 75.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 t -55.6 -24.17 31.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.235 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.439 ' CD1' ' N ' ' A' ' 32' ' ' TRP . 3.8 m95 -107.53 9.5 29.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.417 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.694 ' HA ' HG13 ' A' ' 87' ' ' VAL . . . -54.64 -60.92 2.7 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.747 0.308 . . . . 0.0 111.332 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.842 ' CG ' HD23 ' A' ' 36' ' ' LEU . 23.9 p30 -83.72 3.03 34.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.335 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.38 30.51 66.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.708 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.842 HD23 ' CG ' ' A' ' 34' ' ' ASP . 1.4 mm? -74.93 -35.15 62.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.855 0.36 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.71 -47.11 67.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.338 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -64.66 -46.11 83.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.051 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 79.0 m -69.21 -34.06 74.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.805 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.617 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -59.96 -40.88 90.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 18.5 mt -70.21 -51.56 30.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 38' ' ' LEU . 36.5 t -58.99 -43.35 88.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.446 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 68.8 t80 -60.15 -37.95 81.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -40.77 98.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.497 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.4 mm? -79.22 -46.35 18.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.857 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.68 79.99 51.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.662 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.446 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 48.6 Cg_endo -68.84 -29.42 28.58 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.543 2.162 . . . . 0.0 112.501 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.91 -32.59 66.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.651 ' O ' HD22 ' A' ' 50' ' ' LEU . 2.7 mm? -97.19 25.2 5.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.61 0.243 . . . . 0.0 111.171 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.651 HD22 ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -148.02 166.91 26.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 111.074 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -154.06 61.21 3.26 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.591 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.437 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 9.4 Cg_endo -51.85 -34.52 55.64 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.911 2.407 . . . . 0.0 112.404 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.13 -48.31 70.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.863 ' O ' HD12 ' A' ' 58' ' ' LEU . 15.0 mt-10 -71.7 -50.21 32.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.225 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.612 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 44.5 mt -64.61 -14.21 56.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.749 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.83 ' CG ' HD21 ' A' ' 36' ' ' LEU . 2.1 tt0 -63.54 -39.79 95.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.56 -8.15 21.38 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.205 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.863 HD12 ' O ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -58.91 -31.55 68.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.823 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.23 155.74 6.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.525 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.87 -60.07 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.72 -37.53 82.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -46.77 67.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.053 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -64.34 -43.79 93.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.28 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.794 HG22 HD12 ' A' ' 68' ' ' LEU . 10.2 m -67.2 -49.41 64.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.61 94.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.358 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.605 ' O ' HG12 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -66.88 -50.16 63.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 111.127 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.581 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -63.18 -40.78 98.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.37 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.794 HD12 HG22 ' A' ' 64' ' ' THR . 7.0 mt -64.83 -42.25 95.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.169 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.53 -48.26 61.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.224 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 66' ' ' TRP . 14.4 p -68.49 -43.55 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.152 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.459 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -55.26 -44.08 75.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.011 0.434 . . . . 0.0 110.288 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.447 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 8.2 tt0 -69.8 -37.27 76.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.417 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -70.9 -41.38 71.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.479 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -80.99 -42.38 21.28 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.83 -40.83 9.53 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 103.84 17.06 17.66 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.624 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.1 mt -95.01 112.31 27.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.808 0.337 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.4 t -74.24 134.05 77.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.035 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.05 147.45 53.19 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.392 2.061 . . . . 0.0 112.322 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.2 -15.47 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.562 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 82' ' ' SER . 11.1 p -139.53 158.51 27.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.736 0.303 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.522 ' O ' HG23 ' A' ' 86' ' ' VAL . 8.6 t -77.34 150.01 35.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -63.32 -43.59 97.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -36.52 74.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.479 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -66.81 -45.21 79.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 82' ' ' SER . 21.7 t -62.27 -51.07 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.694 HG13 ' HA ' ' A' ' 33' ' ' ALA . 26.1 t -62.75 -35.0 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.31 53.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.57 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.27 27.98 61.1 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.592 -0.814 . . . . 0.0 112.538 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 m -102.26 31.18 4.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.479 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 14.9 m-20 -159.39 63.54 2.27 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.1 -42.32 65.57 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.536 2.158 . . . . 0.0 112.397 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -36.25 72.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.54 -39.71 68.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.556 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.03 -41.61 92.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.329 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.1 mm -67.74 -41.25 85.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.061 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.69 95.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -69.23 -45.08 70.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.785 HD21 ' SG ' ' A' ' 13' ' ' CYS . 1.3 mt -59.41 -38.43 80.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -60.54 -36.83 79.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -73.58 -39.73 64.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.003 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -41.44 85.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -66.01 -41.66 90.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.51 -43.88 96.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.045 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.27 -44.36 59.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.497 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.9 m-85 -65.81 -24.2 66.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.103 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.24 -38.94 69.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.057 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -50.3 73.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.3 tpp . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.875 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.808 0.337 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -141.6 136.76 7.59 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.532 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -112.38 134.27 54.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 62.47 -80.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 58.27 -170.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 60.02 165.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -167.61 125.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -136.44 101.73 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.6 mtp -176.02 92.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -149.55 -60.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -93.84 17.61 11.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.628 0.252 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.12 -35.73 3.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.74 0.305 . . . . 0.0 111.092 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.86 -27.46 41.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.1 p -75.5 -48.77 21.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.978 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -63.54 -32.88 74.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.146 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -62.56 -46.93 86.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.48 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 3.1 pt-20 -63.67 -31.68 72.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.034 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.537 HD13 HG23 ' A' ' 96' ' ' ILE . 72.4 mt -70.42 -48.63 55.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -63.65 -39.84 95.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -59.67 -44.41 93.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.011 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.504 ' CZ2' ' CD2' ' A' ' 103' ' ' HIS . 80.5 t90 -65.01 -42.92 94.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.572 ' SG ' HD11 ' A' ' 99' ' ' LEU . 0.7 OUTLIER -60.04 -45.41 92.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.966 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -61.34 -35.2 76.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -45.56 80.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 37.5 mm-40 -69.26 -30.65 68.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.717 HG23 ' CB ' ' A' ' 40' ' ' ALA . 59.0 m -95.78 7.44 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.513 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.02 125.28 30.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.66 -27.74 1.48 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.582 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -88.95 121.37 69.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.448 0.166 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -62.7 122.44 10.77 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.47 2.114 . . . . 0.0 112.295 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.43 -27.18 16.1 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.351 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.5 t -78.95 120.54 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.062 0.458 . . . . 0.0 111.059 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.47 72.12 1.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.512 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.449 HG21 HG21 ' A' ' 17' ' ' THR . 21.7 t -63.77 92.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.444 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.418 ' HA ' HD22 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -150.1 20.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.667 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -138.22 140.86 39.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.1 mt -96.65 37.84 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.027 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 m -166.58 -76.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.276 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -44.9 79.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.372 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.95 -29.02 55.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.343 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -93.72 0.31 56.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.546 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.715 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -51.0 -64.56 0.77 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.772 0.32 . . . . 0.0 111.43 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' CG ' HD23 ' A' ' 36' ' ' LEU . 15.0 p30 -79.94 -2.61 44.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.296 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.3 35.59 63.64 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.612 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.446 HD23 ' CG ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -69.12 -46.74 66.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.736 0.303 . . . . 0.0 111.15 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.08 86.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.51 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 42' ' ' VAL . 4.0 tp -64.08 -46.05 86.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.297 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.12 -45.17 86.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.205 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.717 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -56.99 -47.2 81.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.367 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' HD23 ' A' ' 45' ' ' LEU . 13.3 mt -59.57 -52.21 66.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.16 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 38' ' ' LEU . 23.6 t -58.01 -39.61 72.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.272 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.454 ' CG ' ' HG3' ' A' ' 52' ' ' PRO . 23.8 t80 -58.63 -45.27 89.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.21 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -35.61 80.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.947 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.419 ' HG ' ' CE1' ' A' ' 106' ' ' PHE . 4.4 mm? -77.97 -40.77 38.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.919 0.39 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -137.43 69.94 53.88 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.772 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.5 -25.82 34.82 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.554 2.17 . . . . 0.0 112.256 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.17 -4.74 90.12 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.796 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.889 ' O ' HD22 ' A' ' 50' ' ' LEU . 8.2 mt -136.33 31.74 2.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.809 0.304 . . . . 0.0 111.174 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.889 HD22 ' O ' ' A' ' 49' ' ' LEU . 2.1 mm? -141.99 161.53 37.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.967 0.413 . . . . 0.0 111.246 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -146.79 64.98 9.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.297 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.454 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 14.7 Cg_endo -56.44 -49.76 14.01 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.955 2.437 . . . . 0.0 112.655 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.4 m -53.91 -29.85 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.211 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.846 ' O ' HD13 ' A' ' 58' ' ' LEU . 2.7 tt0 -71.62 -50.38 31.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.348 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 3.7 mm? -84.47 -9.7 58.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.921 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -60.48 -37.32 80.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.58 -26.56 3.08 Favored Glycine 0 N--CA 1.454 -0.135 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.864 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.846 HD13 ' O ' ' A' ' 54' ' ' GLU . 2.2 mp -50.35 -35.3 27.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 0.0 111.354 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.48 150.17 6.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.727 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.715 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -77.39 -57.98 3.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.739 0.304 . . . . 0.0 111.06 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.493 HD23 HG21 ' A' ' 87' ' ' VAL . 89.5 mt -58.57 -37.69 76.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -41.68 83.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.97 -42.49 97.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.2 m -66.84 -50.67 61.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.55 96.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.028 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.669 ' O ' HG12 ' A' ' 70' ' ' VAL . 22.0 t90 -66.97 -41.07 87.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.425 ' HA ' HG12 ' A' ' 70' ' ' VAL . . . -67.61 -39.21 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.205 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.03 -43.54 92.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.018 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -68.38 -48.22 65.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 66' ' ' TRP . 12.1 p -68.35 -40.69 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.026 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.41 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -55.47 -44.85 76.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.051 0.453 . . . . 0.0 110.335 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.486 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 0.3 OUTLIER -69.85 -37.5 76.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.432 179.3 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -69.87 -41.04 75.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.305 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.03 -42.27 21.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.126 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.2 mp -100.78 -44.16 5.88 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 110.0 15.17 12.15 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.642 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.419 HG23 ' CD2' ' A' ' 101' ' ' HIS . 20.5 mt -86.06 115.15 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 111.064 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 m -74.08 129.53 84.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.07 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.91 138.51 77.88 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.509 2.139 . . . . 0.0 112.33 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.1 t -116.65 -19.9 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.531 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 82' ' ' SER . 20.4 t -131.69 159.5 43.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.772 0.32 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.776 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -84.0 157.96 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.893 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.62 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -65.1 -43.6 91.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -55.71 -46.35 77.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.033 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.71 91.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 82' ' ' SER . 29.7 t -69.16 -51.03 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 83' ' ' ALA . 24.8 t -62.57 -34.91 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.177 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.65 -13.44 51.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.512 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 56.73 33.58 63.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.523 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.12 38.74 1.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.359 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -164.02 74.16 1.71 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -61.94 -42.73 28.85 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.517 2.144 . . . . 0.0 112.338 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.53 -41.22 89.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.48 -39.63 60.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.535 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -59.98 -42.41 94.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.537 HG23 HD13 ' A' ' 9' ' ' LEU . 15.2 mt -67.55 -41.11 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.67 85.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.44 ' CE2' ' CE1' ' A' ' 102' ' ' PHE . 2.9 t80 -65.44 -41.81 93.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.822 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.572 HD11 ' SG ' ' A' ' 13' ' ' CYS . 4.8 tp -58.78 -32.98 69.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.037 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.6 t -61.88 -45.77 92.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.419 ' CD2' HG23 ' A' ' 77' ' ' ILE . 1.8 t-80 -62.44 -45.26 93.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.44 ' CE1' ' CE2' ' A' ' 98' ' ' TYR . 4.9 m-85 -66.64 -45.49 78.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.504 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 19.0 t-160 -64.13 -51.25 64.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -29.41 70.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.03 -37.87 45.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.281 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.419 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 12.2 m-85 -80.65 -36.61 32.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.157 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -58.49 -35.99 73.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.014 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.6 m -64.89 -31.14 72.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.9 tpp . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.901 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 3.5 ttm . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.841 0.353 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 135.43 -172.44 22.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -158.97 105.01 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.31 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -61.17 161.15 9.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 1.6 t60 60.64 -171.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . 0.419 ' CE1' ' HA3' ' A' ' 1' ' ' GLY . 27.2 t-80 63.48 139.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -137.08 -63.89 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -128.36 161.82 28.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.2 mtm 60.51 95.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' HA3' ' CE1' ' A' ' -3' ' ' HIS . . . -169.75 35.38 0.18 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.435 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -133.27 -46.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.352 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.47 -30.36 18.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.18 -27.38 40.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.8 p -84.24 -43.76 14.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.38 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -63.44 -32.93 74.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.72 -46.92 85.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -66.49 -31.57 72.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.99 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tp -66.43 -48.48 69.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -34.82 76.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -64.4 -40.8 96.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.428 ' CH2' ' HA ' ' A' ' 103' ' ' HIS . 78.0 t90 -67.75 -42.53 81.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.039 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.69 -45.38 93.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -62.16 -40.58 96.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.002 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -66.25 -45.74 79.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.799 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -67.4 -29.27 68.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.712 HG23 ' CB ' ' A' ' 40' ' ' ALA . 58.7 m -88.3 7.5 31.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.346 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.9 129.95 34.79 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.801 0.334 . . . . 0.0 111.079 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.67 -24.8 1.65 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.601 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.46 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 11.9 m-85 -89.75 121.34 69.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.473 0.178 . . . . 0.0 110.763 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 17.3 Cg_exo -67.03 62.26 0.62 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.638 2.225 . . . . 0.0 112.618 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.93 38.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.446 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.604 HG23 HD12 ' A' ' 36' ' ' LEU . 12.6 p -121.85 120.68 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.966 0.412 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 44.7 m170 -110.62 107.86 17.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.6 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.513 HG21 HG21 ' A' ' 17' ' ' THR . 21.3 t -113.13 90.77 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.486 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.11 20.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.034 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -138.52 142.03 39.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.677 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.1 mt -95.07 37.12 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 t -167.3 -76.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.015 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.6 t -58.37 -21.4 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.307 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 t -68.13 -24.59 65.02 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.658 ' HH2' HD11 ' A' ' 99' ' ' LEU . 3.4 m95 -107.84 16.62 23.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.271 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.847 ' HA ' HG13 ' A' ' 87' ' ' VAL . . . -55.38 -60.27 3.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.761 0.315 . . . . 0.0 111.092 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' OD2' HD23 ' A' ' 36' ' ' LEU . 31.7 p30 -86.47 5.99 32.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.206 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 39' ' ' CYS . . . 73.85 28.96 63.85 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.604 HD12 HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -69.34 -44.48 71.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.815 0.34 . . . . 0.0 111.195 -179.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.452 ' HB3' ' CD2' ' A' ' 32' ' ' TRP . . . -68.85 -47.09 66.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.785 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.642 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.1 mt -61.83 -46.66 88.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.395 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -71.62 -38.29 70.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.841 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.712 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -58.31 -38.39 77.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.805 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 37' ' ' ALA . 5.6 mt -69.94 -51.33 33.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.763 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 38' ' ' LEU . 32.6 t -59.03 -44.39 91.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.065 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.417 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 91.3 t80 -59.3 -37.92 78.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.982 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -41.18 99.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.666 HD23 ' CZ ' ' A' ' 106' ' ' PHE . 2.8 mm? -75.46 -37.4 60.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -140.81 77.72 21.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 48.7 Cg_endo -68.77 -16.14 41.43 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.607 2.204 . . . . 0.0 112.37 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.88 -20.08 51.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.776 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.548 ' O ' HD22 ' A' ' 50' ' ' LEU . 25.4 mt -116.17 28.15 8.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 0.0 111.24 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.548 HD22 ' O ' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -142.99 165.83 26.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.994 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -152.8 63.56 4.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.697 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -56.2 -30.43 79.81 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.874 2.383 . . . . 0.0 112.508 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.9 t -59.6 -42.46 92.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.941 ' O ' HD12 ' A' ' 58' ' ' LEU . 6.8 mt-10 -71.71 -50.44 30.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.388 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.8 HD12 ' HA ' ' A' ' 63' ' ' ALA . 3.5 mm? -68.81 -10.26 55.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.731 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.513 ' CG ' HD21 ' A' ' 36' ' ' LEU . 1.3 tm0? -64.23 -39.99 95.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.744 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.79 -11.41 11.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.979 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.941 HD12 ' O ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -57.44 -28.47 63.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.705 0.288 . . . . 0.0 110.677 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.69 169.72 13.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.71 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.76 -63.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 111.002 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.483 HD21 ' HG2' ' A' ' 84' ' ' GLN . 2.7 mm? -58.79 -37.57 76.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.3 -45.69 83.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.8 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -63.8 -43.64 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.585 HG21 ' HA ' ' A' ' 83' ' ' ALA . 2.8 m -67.34 -49.82 62.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.7 98.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.265 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.56 ' O ' HG22 ' A' ' 70' ' ' VAL . 5.5 t90 -67.06 -49.94 63.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.8 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.401 ' HA ' HG22 ' A' ' 70' ' ' VAL . . . -61.98 -38.61 89.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.475 HD22 ' HB3' ' A' ' 79' ' ' PRO . 17.8 mt -66.51 -39.11 88.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -48.41 54.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.981 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 66' ' ' TRP . 30.3 m -68.46 -46.1 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.022 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.497 ' N ' HG23 ' A' ' 70' ' ' VAL . . . -55.25 -44.35 75.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.127 0.489 . . . . 0.0 110.277 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -69.56 -37.22 76.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.366 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -69.75 -41.14 75.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.411 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -80.85 -42.41 21.59 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.5 -34.95 15.37 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.76 29.68 12.94 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.299 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.3 mt -109.74 121.56 62.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.347 . . . . 0.0 111.093 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 m -76.53 124.13 87.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.475 ' HB3' HD22 ' A' ' 68' ' ' LEU . 51.9 Cg_exo -54.72 140.14 77.05 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.499 2.132 . . . . 0.0 112.228 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.591 ' O ' HG12 ' A' ' 80' ' ' VAL . 21.6 t -115.73 8.15 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.447 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.7 p -149.07 146.22 17.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.826 0.346 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.525 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.9 OUTLIER -75.71 148.17 38.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.585 ' HA ' HG21 ' A' ' 64' ' ' THR . . . -58.99 -43.55 91.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.483 ' HG2' HD21 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -55.49 -43.67 75.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.069 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -62.85 -39.39 94.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.051 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.546 HG13 ' CD2' ' A' ' 95' ' ' LEU . 38.2 t -63.93 -46.88 92.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.297 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.847 HG13 ' HA ' ' A' ' 33' ' ' ALA . 33.1 t -73.44 -37.88 51.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.453 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.96 -13.48 53.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.642 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.37 35.76 73.27 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.422 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.7 p -84.89 -25.6 27.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.712 0.292 . . . . 0.0 111.163 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.509 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 1.8 m-20 -117.39 80.47 12.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.994 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.61 -43.02 48.47 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.531 2.154 . . . . 0.0 112.098 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -36.32 76.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.98 -41.17 88.27 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.525 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 99' ' ' LEU . 1.7 mt -61.81 -43.26 99.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.309 . . . . 0.0 110.931 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.92 -41.2 84.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.54 77.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.301 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.454 ' CE1' ' HA ' ' A' ' 79' ' ' PRO . 1.3 t80 -69.16 -39.92 78.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.999 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.658 HD11 ' HH2' ' A' ' 32' ' ' TRP . 3.6 mm? -62.37 -32.44 73.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.989 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -38.16 86.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -44.95 70.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.67 -34.38 75.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.428 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 64.5 t-80 -62.06 -42.8 99.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.1 p -63.74 -41.18 98.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.19 90.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.666 ' CZ ' HD23 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.8 -37.87 87.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -59.7 -30.57 68.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 m -98.46 -70.94 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 1.9 mmt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.766 0.317 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -147.84 -154.56 6.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.494 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -131.26 99.8 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -69.49 169.8 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -145.73 97.45 2.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.777 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -102.49 158.03 16.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -163.77 133.37 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -127.48 -66.14 0.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.451 ' HE2' ' HB3' ' A' ' 3' ' ' ALA . 5.6 mmt -99.03 140.89 32.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 152.5 -47.32 0.56 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.44 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -94.19 -37.61 11.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.829 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.451 ' HB3' ' HE2' ' A' ' 0' ' ' MET . . . -75.21 -32.99 61.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.91 -39.48 94.99 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -82.59 -35.42 27.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -61.68 -43.26 99.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.67 -44.73 95.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.24 -39.94 96.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.2 mt -59.88 -41.05 90.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.738 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.709 HD21 ' HG ' ' A' ' 28' ' ' LEU . 3.0 mm? -63.49 -40.95 98.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.732 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -59.72 -41.14 90.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.815 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -67.77 -41.72 82.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.054 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 59.9 m -63.99 -45.65 88.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.259 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.47 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 3.8 pt20 -62.01 -35.08 77.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.059 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.18 -45.77 79.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.701 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -74.31 -27.95 60.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.899 HG22 ' HB3' ' A' ' 40' ' ' ALA . 33.2 p -89.02 7.48 34.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.384 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.96 125.41 30.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.772 0.32 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.77 -25.42 2.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.618 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.851 ' O ' HG12 ' A' ' 23' ' ' VAL . 6.7 m-85 -90.9 121.51 67.95 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.489 0.185 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.99 98.49 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.426 2.084 . . . . 0.0 112.391 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.67 -8.08 9.45 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.717 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.851 HG12 ' O ' ' A' ' 20' ' ' TYR . 11.4 p -78.32 120.69 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 111.142 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -132.45 64.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.5 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.656 HG21 HG21 ' A' ' 17' ' ' THR . 21.6 t -67.41 93.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.345 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.485 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -147.42 20.68 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.688 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -138.44 143.49 39.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.621 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.709 ' HG ' HD21 ' A' ' 10' ' ' LEU . 8.4 mt -97.07 38.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.02 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -161.27 -76.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.276 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.3 t -61.14 -43.38 98.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.406 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.89 -25.48 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.453 -179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.828 ' CH2' HD21 ' A' ' 99' ' ' LEU . 18.5 m95 -101.63 -0.91 33.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.625 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.577 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -54.1 -60.21 3.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.741 0.305 . . . . 0.0 111.318 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.829 ' CG ' HD23 ' A' ' 36' ' ' LEU . 24.4 p30 -79.46 -3.62 47.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.219 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.85 33.5 60.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.626 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.91 HD21 ' HG2' ' A' ' 56' ' ' GLN . 1.3 mm? -75.05 -42.86 56.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.659 0.266 . . . . 0.0 111.232 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.35 -47.49 83.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 0.0 111.21 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 42' ' ' VAL . 16.3 mt -66.06 -46.05 79.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.704 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.415 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 4.9 m -61.56 -46.23 90.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.021 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.899 ' HB3' HG22 ' A' ' 17' ' ' THR . . . -55.2 -40.56 70.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.04 -52.52 62.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 38' ' ' LEU . 14.8 t -59.18 -49.62 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.25 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.417 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 68.8 t80 -55.41 -38.01 68.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.095 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -42.44 99.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.797 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.618 HD12 ' HG2' ' A' ' 109' ' ' MET . 3.9 mm? -74.12 -34.71 64.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -151.21 80.93 6.3 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.774 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 56.7 Cg_endo -70.49 -37.3 7.59 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.515 2.143 . . . . 0.0 112.471 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.68 -34.53 89.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.852 ' O ' HD22 ' A' ' 50' ' ' LEU . 3.0 mm? -94.57 20.94 7.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.52 0.2 . . . . 0.0 111.209 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.852 HD22 ' O ' ' A' ' 49' ' ' LEU . 1.2 mm? -142.95 168.39 19.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.008 0.432 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 20.2 mt-10 -161.19 48.11 0.23 Allowed Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.612 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 20.5 Cg_endo -60.19 -16.86 42.71 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.695 2.263 . . . . 0.0 112.694 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.9 m -54.94 -42.2 72.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.502 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.7 -50.13 33.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.094 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' A' ' 63' ' ' ALA . 1.8 mt -71.88 -9.79 58.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.793 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.91 ' HG2' HD21 ' A' ' 36' ' ' LEU . 1.7 tt0 -60.49 -31.21 70.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 111.19 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.7 3.94 5.4 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.922 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.34 -27.07 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 111.023 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.85 140.49 3.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.53 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.577 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -74.23 -59.8 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 111.043 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.785 ' HG ' HG21 ' A' ' 87' ' ' VAL . 5.8 mt -60.76 -37.83 83.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -62.46 -46.82 86.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . . . -65.55 -42.09 92.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -50.73 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.052 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.13 -43.53 87.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.764 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -66.87 -48.0 70.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.91 -46.58 90.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.37 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.84 -46.13 86.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -64.36 -48.18 76.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.209 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 66' ' ' TRP . 38.5 t -68.39 -38.48 79.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.23 -46.45 75.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 110.764 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.475 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 13.8 pt-20 -70.19 -37.23 75.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.566 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.37 -41.35 76.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.338 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -42.47 20.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.986 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.4 -53.57 3.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 110.64 26.0 4.96 Favored Glycine 0 CA--C 1.517 0.158 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.281 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.2 mm -82.77 130.53 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.728 0.299 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.1 m -74.07 115.07 39.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.779 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.29 149.23 74.68 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.542 2.161 . . . . 0.0 112.278 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 80' ' ' VAL . 15.8 t -141.55 17.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.301 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.3 m -149.75 160.44 4.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.842 0.353 . . . . 0.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.876 ' O ' HG23 ' A' ' 86' ' ' VAL . 29.0 t -112.43 150.37 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.788 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.67 ' HB1' HD23 ' A' ' 61' ' ' LEU . . . -59.74 -43.5 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.167 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.31 -44.76 80.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.613 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.5 -38.36 80.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 82' ' ' SER . 25.8 t -66.66 -51.08 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.785 HG21 ' HG ' ' A' ' 61' ' ' LEU . 25.4 t -62.74 -31.19 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.205 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.21 -13.54 49.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.576 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.1 32.14 66.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.57 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.45 41.39 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.613 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -152.49 61.9 4.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.08 -42.8 27.59 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.609 2.206 . . . . 0.0 112.209 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.4 mt -58.55 -40.25 82.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.32 -37.4 90.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.371 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.414 ' O ' HD23 ' A' ' 99' ' ' LEU . 5.8 mp -60.82 -42.15 97.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.716 0.293 . . . . 0.0 110.786 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.6 mm -66.78 -44.27 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.067 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.76 90.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -68.94 -47.72 65.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.828 HD21 ' CH2' ' A' ' 32' ' ' TRP . 2.9 mm? -59.81 -34.06 72.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.827 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.1 t -63.03 -36.9 85.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.87 -39.31 61.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.766 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.408 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -67.46 -43.29 81.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.764 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.89 -48.2 82.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 m -57.94 -43.69 86.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.66 -37.37 73.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.439 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.67 -27.94 68.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -53.21 60.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.0 t -83.29 -31.94 26.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.618 ' HG2' HD12 ' A' ' 45' ' ' LEU . 1.7 tpt . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.86 0.362 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -60.92 146.35 47.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -70.59 139.16 51.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -69.83 146.15 51.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -85.33 140.97 30.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -80.47 -177.23 6.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 61.31 88.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 76.81 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.9 ptm -101.66 100.59 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 150.17 -47.65 0.6 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.565 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -85.47 -56.36 3.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.341 . . . . 0.0 111.068 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.36 -29.97 69.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.05 -26.81 74.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.613 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -84.64 -36.4 22.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.956 0.408 . . . . 0.0 111.012 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.688 ' NE2' HD13 ' A' ' 28' ' ' LEU . 6.6 mt-30 -63.51 -32.73 74.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.193 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.56 -46.9 86.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.309 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 6.9 pt-20 -67.86 -31.74 71.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.989 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 17.6 tp -72.02 -44.8 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.067 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 26' ' ' SER . 5.0 tt -63.5 -45.91 88.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.16 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -60.82 -39.88 90.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.063 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.443 ' CD2' ' CD2' ' A' ' 103' ' ' HIS . 60.9 t90 -61.98 -40.01 94.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.5 m -69.13 -45.55 69.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -36.8 84.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -66.28 -45.67 79.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.722 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -69.71 -30.6 68.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 40' ' ' ALA . 10.3 m -92.81 7.51 43.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.492 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.99 125.36 29.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.74 0.305 . . . . 0.0 111.028 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.3 -38.52 1.76 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.53 ' CE1' ' HB1' ' A' ' 40' ' ' ALA . 62.2 m-85 -67.51 127.15 93.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.529 0.204 . . . . 0.0 110.773 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.99 110.33 2.9 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.429 2.086 . . . . 0.0 112.473 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.44 -25.05 16.33 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.404 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.592 ' CG2' HD12 ' A' ' 36' ' ' LEU . 16.2 t -79.16 120.67 30.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 0.0 111.148 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -127.68 83.81 2.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.785 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.607 ' CG2' HG21 ' A' ' 17' ' ' THR . 21.7 t -77.31 103.73 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.277 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.441 ' HA ' HD21 ' A' ' 10' ' ' LEU . 5.9 m -151.06 22.85 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.956 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -138.13 147.81 44.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.688 HD13 ' NE2' ' A' ' 6' ' ' GLN . 1.2 mt -97.15 37.91 1.29 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t -174.88 -77.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.32 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.1 m -54.05 -28.8 41.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.581 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -27.04 67.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.085 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.617 ' CH2' HD21 ' A' ' 99' ' ' LEU . 29.1 m95 -96.01 13.27 27.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.545 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.64 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -57.91 -55.82 29.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.858 ' CG ' HD23 ' A' ' 36' ' ' LEU . 14.4 p30 -87.68 6.97 32.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.274 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.86 33.56 87.35 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.701 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.914 HD21 ' HG2' ' A' ' 56' ' ' GLN . 1.9 mm? -74.84 -41.53 59.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 111.276 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.414 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -62.26 -47.27 85.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.244 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.3 tp -68.27 -42.08 80.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.739 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 3.1 m -64.03 -47.39 80.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.735 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -55.66 -42.22 74.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.223 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 38' ' ' LEU . 11.4 mt -60.69 -52.36 65.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 38' ' ' LEU . 18.0 t -60.99 -45.68 98.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.237 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -55.09 -38.04 67.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -66.84 -42.01 86.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.65 HD23 ' CZ ' ' A' ' 106' ' ' PHE . 3.8 mm? -78.26 -31.46 49.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.246 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -144.67 68.62 14.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.017 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.82 -27.55 21.3 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.535 2.157 . . . . 0.0 112.136 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.27 -4.89 89.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.746 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.6 mt -129.56 26.29 5.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.814 0.307 . . . . 0.0 111.207 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.53 HD13 HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -147.6 154.47 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.994 0.426 . . . . 0.0 111.008 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 2.3 mm-40 -141.44 47.22 0.97 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.781 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 18.8 Cg_endo -58.91 -17.36 36.67 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.611 2.207 . . . . 0.0 112.714 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -57.17 -44.27 83.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.982 0.42 . . . . 0.0 110.62 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -71.68 -50.12 33.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.899 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 51' ' ' GLU . 3.3 mp -70.29 -9.9 57.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.721 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.914 ' HG2' HD21 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -60.47 -33.63 72.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.736 0.303 . . . . 0.0 111.106 -179.497 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.6 4.73 6.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.753 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -27.28 24.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.0 125.14 0.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.655 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -60.31 -59.46 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.046 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.04 -37.64 85.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.79 -45.87 92.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.9 95.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.217 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.404 ' HB ' ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -67.2 -50.68 59.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.992 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.44 97.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.656 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -66.89 -40.12 87.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.012 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.54 -39.63 73.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.32 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 79' ' ' PRO . 0.5 OUTLIER -63.88 -41.02 97.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.201 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.86 -48.46 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.331 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 66' ' ' TRP . 32.3 m -68.28 -44.94 83.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.451 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.479 ' N ' HG23 ' A' ' 70' ' ' VAL . . . -55.32 -46.09 76.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.974 0.416 . . . . 0.0 110.393 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 1.3 tt0 -69.86 -37.57 76.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.358 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.6 -41.26 79.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.502 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -42.39 21.27 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.66 -40.34 8.65 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 96.77 26.56 10.45 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.429 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.9 tt -81.88 127.78 39.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.822 0.344 . . . . 0.0 111.199 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 t -74.14 115.13 39.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.415 ' HB3' HD21 ' A' ' 68' ' ' LEU . 50.2 Cg_exo -53.58 141.03 64.49 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.408 2.072 . . . . 0.0 112.339 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.82 -13.98 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.504 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.449 HG11 ' HA3' ' A' ' 94' ' ' GLY . 10.7 m -147.07 160.48 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 111.062 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.676 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.3 m -86.27 158.98 19.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -64.34 -43.76 93.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -57.27 -41.62 80.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.57 96.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 82' ' ' SER . 28.3 t -64.24 -51.01 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 33' ' ' ALA . 27.8 t -62.26 -31.37 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.256 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.74 -13.6 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.618 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.49 36.75 64.69 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.528 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.93 30.89 6.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 0.0 110.869 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -150.53 64.45 6.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -57.07 -42.89 58.95 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.64 2.227 . . . . 0.0 112.192 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.32 -36.89 85.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.449 ' HA3' HG11 ' A' ' 81' ' ' VAL . . . -71.51 -39.59 60.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.614 ' O ' HD23 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -60.61 -43.2 97.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.948 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.9 mt -67.76 -41.22 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.015 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.51 92.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.92 -41.99 86.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.764 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.617 HD21 ' CH2' ' A' ' 32' ' ' TRP . 3.5 mm? -60.8 -33.88 73.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.822 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.6 p -60.12 -36.96 78.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.5 -48.03 43.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -32.78 73.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.715 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.443 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 5.6 t-80 -60.69 -50.56 72.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.998 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -34.83 78.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.037 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.98 -44.49 84.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.043 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.65 ' CZ ' HD23 ' A' ' 45' ' ' LEU . 3.3 m-85 -66.0 -33.45 75.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -64.64 -31.48 72.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.7 p -106.49 30.89 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 ttt . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.909 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 3.1 mtt . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.861 0.362 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -152.54 131.3 3.32 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -111.71 156.2 22.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -136.65 -47.29 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -87.09 -31.7 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 60.72 164.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 54.2 t60 60.67 32.44 20.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -110.62 156.12 21.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.8 ttt -166.34 158.32 13.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 100.37 -25.75 27.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.592 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -96.83 -33.42 11.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.68 -29.87 22.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.074 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.18 -27.97 59.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.614 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -79.05 -30.82 44.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.884 0.373 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -59.62 -44.5 93.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -64.18 -46.76 82.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.36 -40.44 97.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.446 ' HB3' HD22 ' A' ' 99' ' ' LEU . 48.8 mt -66.54 -39.03 88.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.32 -45.5 91.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -59.8 -44.39 94.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.018 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -67.52 -36.74 81.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.51 -45.45 75.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.291 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 15' ' ' GLU . 5.1 pt20 -65.73 -35.42 80.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.152 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 1.4 tp10 -66.32 -45.73 79.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.379 . . . . 0.0 110.743 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.593 ' HB3' HD23 ' A' ' 41' ' ' LEU . 29.5 mm100 -65.38 -31.93 73.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.044 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.835 HG23 ' CB ' ' A' ' 40' ' ' ALA . 31.1 m -91.52 7.43 41.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.538 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.96 125.44 32.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.19 -15.96 2.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.777 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.401 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . 11.2 m-85 -94.65 121.69 62.5 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.621 0.21 . . . . 0.0 110.752 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.64 60.98 1.65 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.572 2.181 . . . . 0.0 112.739 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.91 37.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.958 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.518 ' CG2' HD12 ' A' ' 36' ' ' LEU . 24.5 t -140.54 120.95 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.249 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -117.32 119.24 34.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.665 HG21 ' CB ' ' A' ' 17' ' ' THR . 16.1 t -105.44 38.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.54 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t -96.43 19.89 11.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 111.12 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -138.15 138.06 38.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.24 36.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.133 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -164.19 -76.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 111.076 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -56.24 -27.22 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.388 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.424 ' OG ' ' CD1' ' A' ' 32' ' ' TRP . 4.1 p -68.38 -29.93 68.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.848 0.356 . . . . 0.0 111.042 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.539 ' CE2' HD21 ' A' ' 95' ' ' LEU . 7.5 m95 -98.07 4.76 49.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.398 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.604 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -51.79 -64.77 0.71 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.698 0.285 . . . . 0.0 111.308 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.852 ' CG ' HD23 ' A' ' 36' ' ' LEU . 18.5 p30 -79.42 -2.19 40.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.345 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.28 32.24 52.53 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.577 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.852 HD23 ' CG ' ' A' ' 34' ' ' ASP . 1.6 mm? -73.08 -41.57 63.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 111.029 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.36 -47.17 87.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.101 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.649 HD21 ' HE2' ' A' ' 98' ' ' TYR . 0.2 OUTLIER -63.77 -46.02 87.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -33.38 73.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.835 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -59.6 -43.28 93.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.986 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.593 HD23 ' HB3' ' A' ' 16' ' ' GLN . 3.3 mt -70.22 -52.56 22.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.253 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 38' ' ' LEU . 32.4 t -59.25 -48.0 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.017 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.449 ' CG ' ' HG3' ' A' ' 52' ' ' PRO . 90.0 t80 -56.55 -37.71 70.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.945 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -43.2 99.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.622 HD22 HD11 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -76.06 -42.47 47.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.699 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -144.17 81.66 11.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.513 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 63.0 Cg_endo -73.78 -35.24 4.63 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.582 2.188 . . . . 0.0 112.302 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.86 -20.95 70.97 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.358 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.3 mm? -91.63 -8.92 45.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.647 HD21 ' HB ' ' A' ' 70' ' ' VAL . 5.1 mp -148.62 131.79 16.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.92 0.39 . . . . 0.0 111.479 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.47 81.51 0.45 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.502 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 19.0 Cg_endo -57.91 -37.99 94.05 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.8 2.334 . . . . 0.0 112.723 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -54.06 -36.02 62.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.288 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.735 ' O ' HD13 ' A' ' 58' ' ' LEU . 6.7 tt0 -71.61 -50.22 32.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.534 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.461 HD11 ' CE3' ' A' ' 66' ' ' TRP . 5.8 mt -79.75 -9.57 59.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.983 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.824 ' CG ' HD21 ' A' ' 36' ' ' LEU . 1.5 tt0 -60.43 -34.94 74.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.722 0.296 . . . . 0.0 111.551 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.11 -23.05 3.06 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.915 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.735 HD13 ' O ' ' A' ' 54' ' ' GLU . 1.3 mp -55.07 -35.16 64.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 0.0 111.18 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.07 148.44 6.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.752 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -76.72 -56.11 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.431 ' C ' HD23 ' A' ' 61' ' ' LEU . 8.6 tt -58.59 -43.73 89.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -64.27 -41.1 97.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.9 -43.59 95.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -50.57 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.49 98.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.641 ' O ' HG23 ' A' ' 70' ' ' VAL . 7.4 t90 -66.83 -41.89 86.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.981 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.23 -39.95 74.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.317 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.14 -46.04 82.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.418 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.87 -48.61 73.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 111.299 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.647 ' HB ' HD21 ' A' ' 50' ' ' LEU . 30.0 t -68.7 -43.53 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.62 -46.24 77.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.927 0.394 . . . . 0.0 110.458 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 10.6 pt-20 -69.92 -37.31 75.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.556 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 2.7 m120 -69.63 -41.67 75.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.431 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.31 -42.4 20.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.99 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.622 HD11 HD22 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -91.58 -42.43 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 100.56 25.0 8.92 Favored Glycine 0 CA--C 1.518 0.238 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.684 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.413 ' CG1' HD22 ' A' ' 75' ' ' LEU . 35.7 mm -91.52 125.77 44.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.806 0.336 . . . . 0.0 111.128 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m -74.1 123.31 89.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.19 142.94 77.16 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.481 2.121 . . . . 0.0 112.355 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.593 ' O ' HG12 ' A' ' 80' ' ' VAL . 21.5 t -131.61 4.78 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.663 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.7 m -149.77 150.63 13.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.815 0.34 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.496 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.3 m -86.89 147.64 25.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.418 ' O ' HG12 ' A' ' 87' ' ' VAL . . . -58.11 -43.66 87.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.221 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -59.16 -37.1 76.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.005 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.554 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.52 -45.27 72.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.158 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 82' ' ' SER . 21.4 t -65.03 -48.7 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.344 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 83' ' ' ALA . 12.4 p -61.35 -35.75 68.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.23 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.66 -13.38 39.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.487 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.33 34.6 85.56 Favored Glycine 0 C--N 1.33 0.201 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.4 m -107.46 30.99 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.72 0.295 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.554 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -148.6 70.24 10.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.07 -42.83 27.47 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.608 2.205 . . . . 0.0 112.276 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 93' ' ' LEU . 8.6 tp -59.85 -44.58 94.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.763 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.49 -32.55 84.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.324 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.539 HD21 ' CE2' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -64.55 -43.16 94.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.913 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.5 mm -64.91 -44.3 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.73 93.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.064 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.649 ' HE2' HD21 ' A' ' 38' ' ' LEU . 17.6 t80 -69.28 -46.45 67.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.446 HD22 ' HB3' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -59.7 -32.6 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -44.08 84.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -62.58 -47.9 81.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 106' ' ' PHE . 1.0 OUTLIER -62.73 -34.05 76.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -66.23 -47.68 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.54 -41.97 92.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.02 92.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.606 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.82 -42.44 90.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -44.97 94.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.74 -51.75 60.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.518 ' SD ' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 95.04 -166.52 26.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 21.3 m80 60.8 155.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -135.91 -55.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -117.78 105.7 12.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.74 140.76 11.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -110.3 164.01 13.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 118.47 20.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.793 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 178.75 -33.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -89.52 21.89 26.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.932 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 m -105.52 -41.12 5.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.903 0.382 . . . . 0.0 110.681 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.03 -29.88 18.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.96 -23.36 78.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.569 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -41.15 84.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.899 0.381 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -63.59 -32.96 74.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -62.69 -46.81 86.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -67.29 -31.77 72.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -67.65 -45.69 74.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.787 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.28 -34.93 78.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -65.96 -38.52 88.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.958 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.428 ' CH2' ' HA ' ' A' ' 103' ' ' HIS . 77.2 t90 -66.33 -48.1 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.051 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.9 t -63.41 -45.52 90.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.033 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.64 ' HA ' HG22 ' A' ' 17' ' ' THR . 1.4 tt0 -67.85 -34.79 77.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.95 -45.54 85.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.6 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -65.74 -36.93 84.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.768 HG21 ' CG2' ' A' ' 25' ' ' VAL . 9.9 t -88.45 7.52 32.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.391 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.26 125.34 30.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.774 0.321 . . . . 0.0 111.046 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.81 -28.35 3.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.542 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.459 ' HH ' ' HD2' ' A' ' 43' ' ' TYR . 52.2 m-85 -76.43 133.08 71.56 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.508 0.194 . . . . 0.0 110.832 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.39 103.14 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.435 2.09 . . . . 0.0 112.362 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.1 24.01 5.89 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.351 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.966 HG22 HD13 ' A' ' 36' ' ' LEU . 20.3 t -129.84 120.64 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.023 0.44 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -135.54 77.42 1.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.799 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.768 ' CG2' HG21 ' A' ' 17' ' ' THR . 46.8 t -74.88 108.29 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.312 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.35 23.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 31' ' ' SER . 2.5 m-20 -138.17 154.38 49.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.719 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.618 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.3 mm? -97.83 37.73 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.025 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 t -175.72 -80.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.399 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.5 m -55.94 -24.01 35.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.561 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 0.5 OUTLIER -66.97 -31.03 71.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.123 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.497 ' HB2' HG12 ' A' ' 86' ' ' VAL . 6.5 m95 -103.11 20.18 18.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.248 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.751 ' HA ' HG13 ' A' ' 87' ' ' VAL . . . -57.15 -56.68 18.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.28 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 p30 -82.94 1.26 40.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.446 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.09 27.81 73.57 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.563 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.966 HD13 HG22 ' A' ' 23' ' ' VAL . 5.2 mt -75.05 -35.32 61.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.765 0.317 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.01 -47.17 85.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.059 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.754 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.3 tt -66.71 -44.03 82.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -36.5 81.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.812 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.79 -48.71 80.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 5.7 mt -61.18 -47.38 86.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.814 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 38' ' ' LEU . 24.6 t -57.92 -41.68 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.459 ' HD2' ' HH ' ' A' ' 20' ' ' TYR . 54.3 t80 -61.44 -37.86 85.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -40.25 96.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.499 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.1 mm? -84.82 -31.93 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.002 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.418 ' CG ' HG12 ' A' ' 42' ' ' VAL . 5.6 pt20 -140.78 70.35 30.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.789 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.01 -27.0 30.57 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.534 2.156 . . . . 0.0 112.304 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.57 -4.39 90.4 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.702 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.422 ' O ' HD22 ' A' ' 50' ' ' LEU . 13.9 mt -133.9 34.89 3.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.846 0.323 . . . . 0.0 111.183 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.439 HD13 ' H ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -149.72 160.18 43.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 111.122 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.439 ' H ' HD13 ' A' ' 50' ' ' LEU . 5.3 mm-40 -143.41 64.39 13.73 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.564 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.34 -36.79 94.49 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.779 2.319 . . . . 0.0 112.507 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.1 p -60.3 -40.24 89.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.929 0.395 . . . . 0.0 110.723 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.9 ' C ' HD12 ' A' ' 58' ' ' LEU . 2.1 tt0 -71.57 -50.37 31.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.035 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 63' ' ' ALA . 3.6 mm? -66.8 -13.1 61.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.38 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.733 ' CG ' HD11 ' A' ' 36' ' ' LEU . 4.5 tm0? -63.61 -39.96 95.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.783 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.75 -14.54 8.62 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.994 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.9 HD12 ' C ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -56.41 -27.94 57.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.672 0.272 . . . . 0.0 110.88 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.47 162.92 10.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.64 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -74.15 -66.57 0.7 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.918 0.39 . . . . 0.0 111.021 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.9 mp -59.54 -37.62 78.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.81 -44.42 96.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.663 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -63.78 -43.78 95.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -50.72 58.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.61 98.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.39 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.523 ' O ' HG12 ' A' ' 70' ' ' VAL . 5.6 t90 -66.95 -49.72 64.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.933 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.32 93.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.51 -45.0 85.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.239 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -63.86 -48.51 76.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.064 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 66' ' ' TRP . 12.1 p -68.42 -44.0 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.044 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.463 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -55.12 -45.41 75.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.045 0.45 . . . . 0.0 110.417 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.477 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 1.0 OUTLIER -69.89 -37.39 76.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.403 179.338 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -69.5 -41.21 76.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.44 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -42.38 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.65 -47.63 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 116.57 13.78 7.87 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.641 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.0 mm -83.7 106.07 13.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.64 0.257 . . . . 0.0 111.007 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.6 t -73.94 132.03 80.66 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.63 138.91 58.41 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.455 2.103 . . . . 0.0 112.366 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.14 -17.79 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.513 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.55 148.73 24.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 111.079 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.592 ' O ' HG23 ' A' ' 86' ' ' VAL . 50.5 m -75.77 148.73 38.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -58.2 -43.64 87.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -57.66 -39.2 76.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.621 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.48 -45.46 72.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.141 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 82' ' ' SER . 21.7 t -60.31 -51.04 77.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.294 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.751 HG13 ' HA ' ' A' ' 33' ' ' ALA . 21.8 t -67.89 -33.22 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.259 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.06 -13.36 53.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.598 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.49 31.83 67.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 p -106.05 31.35 5.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.98 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.621 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 5.6 t0 -154.66 67.94 5.54 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.04 -42.75 28.2 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.571 2.18 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.6 -44.12 89.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.99 -35.49 84.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.681 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.551 ' O ' HD23 ' A' ' 99' ' ' LEU . 4.7 tp -60.12 -43.23 95.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.3 mm -67.8 -46.95 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.2 79.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.424 ' OH ' HD11 ' A' ' 38' ' ' LEU . 14.0 t80 -68.1 -47.64 67.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.024 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 95' ' ' LEU . 3.7 mm? -58.16 -32.62 68.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.0 m -63.51 -36.84 85.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -74.65 -48.12 28.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.424 ' CE2' ' CZ ' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -62.83 -41.08 99.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.864 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.428 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 3.8 t60 -67.43 -44.23 79.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.9 m -66.63 -43.59 84.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.97 -44.41 85.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.19 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.499 ' CE2' HD23 ' A' ' 45' ' ' LEU . 4.0 m-85 -68.69 -28.86 67.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.06 -34.01 76.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.68 30.32 5.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.853 0.359 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 174.31 -139.19 4.81 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.96 164.55 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -100.99 -46.48 5.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 32.17 19.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -162.94 150.28 13.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.782 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -158.78 71.75 0.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -114.06 -30.05 6.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.6 179.53 4.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.414 ' O ' HG23 ' A' ' 5' ' ' THR . . . 108.24 -30.07 9.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.534 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.79 -34.39 19.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.58 -42.21 14.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.21 -23.82 71.68 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.617 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.2 OUTLIER -57.95 -58.77 6.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.347 . . . . 0.0 110.97 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.751 ' HA ' HD12 ' A' ' 9' ' ' LEU . 2.0 tt0 -63.62 -32.9 74.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -63.4 -46.82 84.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.305 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 2.7 pt-20 -62.52 -31.63 72.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.223 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 6' ' ' GLN . 31.3 mt -66.6 -48.83 68.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.53 -38.88 92.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -59.8 -41.45 91.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -67.77 -36.49 80.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.157 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.484 ' SG ' HD21 ' A' ' 99' ' ' LEU . 1.5 m -68.9 -45.48 70.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.406 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.537 ' HA ' HG22 ' A' ' 17' ' ' THR . 4.0 pt20 -67.29 -35.36 79.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.136 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 1.3 mt-10 -66.43 -45.68 79.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 111.011 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -65.29 -34.15 77.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.251 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.537 HG22 ' HA ' ' A' ' 14' ' ' GLN . 14.8 t -86.73 7.5 26.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.474 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.23 125.37 32.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 111.131 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.66 -22.58 2.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.694 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.514 ' CE1' ' HB1' ' A' ' 40' ' ' ALA . 42.2 m-85 -81.62 140.02 47.66 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.669 0.271 . . . . 0.0 110.809 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.32 59.96 3.21 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.668 2.246 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.62 38.51 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.257 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 23' ' ' VAL . 12.0 p -113.8 120.82 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 111.08 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -140.58 94.73 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.653 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.541 HG13 ' HB3' ' A' ' 31' ' ' SER . 21.5 t -113.79 109.08 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.221 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -150.12 23.0 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.984 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.16 162.02 35.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.858 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -108.8 43.38 1.26 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.025 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.0 m -166.39 -79.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.9 m -65.75 -35.09 79.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.949 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.541 ' HB3' HG13 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -54.94 -24.18 22.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.351 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -108.66 7.99 26.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.486 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.793 ' HA ' HG13 ' A' ' 87' ' ' VAL . . . -53.99 -60.81 2.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.632 0.253 . . . . 0.0 111.478 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.607 ' OD2' HD12 ' A' ' 36' ' ' LEU . 13.3 p30 -79.46 -2.83 43.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.445 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.42 35.99 92.06 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.574 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.607 HD12 ' OD2' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -67.17 -39.57 86.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.791 0.329 . . . . 0.0 111.133 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.58 -47.01 80.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.512 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.684 ' O ' HG23 ' A' ' 42' ' ' VAL . 3.7 mp -61.67 -46.09 91.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.156 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -67.22 -42.59 83.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.917 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.514 ' HB1' ' CE1' ' A' ' 20' ' ' TYR . . . -57.98 -47.36 83.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.97 -52.35 65.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 38' ' ' LEU . 26.0 t -58.47 -42.37 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 72.7 t80 -61.1 -37.88 84.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -40.36 97.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.831 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.518 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.3 mm? -78.97 -35.99 42.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -144.25 75.86 15.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.717 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.418 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 43.0 Cg_endo -67.88 -26.56 37.95 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.571 2.18 . . . . 0.0 112.484 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.03 -28.61 68.21 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.457 ' O ' HD22 ' A' ' 50' ' ' LEU . 1.7 mt -111.51 35.75 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.685 0.278 . . . . 0.0 111.205 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.457 HD22 ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -149.11 164.4 34.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.368 . . . . 0.0 111.005 179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -152.54 64.83 5.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.67 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.88 -26.06 72.4 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.717 2.278 . . . . 0.0 112.406 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -64.76 -41.46 95.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.656 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.876 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.5 mm-40 -71.55 -50.13 34.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.015 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.587 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 18.4 mt -64.98 -14.2 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.372 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.541 HE21 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -63.96 -40.04 95.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.888 -179.364 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.03 -9.21 16.31 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.373 -0.918 . . . . 0.0 113.014 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.876 HD12 ' O ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -57.34 -29.19 63.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 110.663 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 139.88 174.62 13.84 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.663 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.732 ' HB1' HG11 ' A' ' 87' ' ' VAL . . . -77.66 -63.09 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 111.165 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.53 HD21 ' HG2' ' A' ' 84' ' ' GLN . 0.1 OUTLIER -62.94 -37.56 87.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.78 -46.82 77.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -67.84 -43.91 78.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.149 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.534 HG22 HD12 ' A' ' 68' ' ' LEU . 19.6 m -67.44 -50.58 58.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.223 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.43 98.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.425 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.718 ' CZ3' HG21 ' A' ' 70' ' ' VAL . 27.0 t90 -66.91 -49.94 63.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.041 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.41 82.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.352 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.534 HD12 HG22 ' A' ' 64' ' ' THR . 0.2 OUTLIER -64.9 -40.34 94.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.292 -179.762 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -70.9 -48.47 53.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.242 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.718 HG21 ' CZ3' ' A' ' 66' ' ' TRP . 23.8 t -68.71 -46.75 79.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.154 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.427 ' HB2' HG21 ' A' ' 42' ' ' VAL . . . -55.3 -44.26 75.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.044 0.449 . . . . 0.0 110.257 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.415 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 2.1 tm-20 -69.78 -37.28 76.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.402 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -70.85 -41.4 71.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.643 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -81.16 -42.3 21.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 35.3 mt -93.18 -33.14 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 93.41 20.77 31.31 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.406 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.4 mt -92.27 116.34 33.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.803 0.335 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 2.5 t -74.16 136.93 75.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 78' ' ' THR . 51.1 Cg_exo -55.35 142.95 78.6 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.496 2.131 . . . . 0.0 112.385 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.655 HG11 ' HB1' ' A' ' 97' ' ' ALA . 20.3 t -113.87 -26.72 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.259 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 82' ' ' SER . 9.4 p -138.09 159.08 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.949 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.483 ' N ' HG22 ' A' ' 81' ' ' VAL . 1.4 t -75.52 154.48 36.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.78 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -65.09 -43.64 91.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.53 ' HG2' HD21 ' A' ' 61' ' ' LEU . 3.4 mm100 -60.43 -37.05 79.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.984 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.489 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.58 -46.32 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.443 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.676 HG23 HD11 ' A' ' 95' ' ' LEU . 9.1 p -70.42 -44.91 76.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.41 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.793 HG13 ' HA ' ' A' ' 33' ' ' ALA . 47.9 t -62.59 -38.11 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.42 53.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.476 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.72 31.34 80.58 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.35 31.1 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.666 0.27 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.489 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -161.39 77.24 2.32 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.918 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.97 -38.1 60.4 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.654 2.236 . . . . 0.0 112.228 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.3 -38.81 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.829 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.81 -38.8 56.3 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.676 HD11 HG23 ' A' ' 86' ' ' VAL . 3.6 mm? -60.04 -43.18 95.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.76 0.314 . . . . 0.0 110.939 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.645 HD11 ' OE1' ' A' ' 6' ' ' GLN . 59.2 mt -67.91 -41.39 84.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.959 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.655 ' HB1' HG11 ' A' ' 80' ' ' VAL . . . -58.81 -40.16 83.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.049 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -66.73 -46.58 75.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.484 HD21 ' SG ' ' A' ' 13' ' ' CYS . 4.5 mp -58.45 -38.63 77.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 53.1 m -60.19 -45.64 92.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.017 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -44.21 90.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.94 -41.45 82.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -65.86 -41.45 91.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.961 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 53.9 p -60.17 -43.85 95.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.16 -42.68 45.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.518 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.87 -31.18 71.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -64.76 -48.79 73.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -41.67 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.805 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 38.3 mtt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.84 0.353 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -98.32 -28.79 7.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.474 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -68.17 178.7 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -149.34 153.13 36.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 60.36 94.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.28 -14.55 59.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.301 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 69.96 -66.83 0.26 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -103.96 28.62 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.969 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 30.0 tpp -175.02 36.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.81 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -145.98 -72.28 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -67.35 -31.65 72.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.22 -40.07 53.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.95 -27.81 63.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 p -72.45 -22.28 61.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.746 0.308 . . . . 0.0 111.066 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -56.74 -32.89 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.148 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -62.75 -46.91 85.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.111 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.54 -31.64 67.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -68.37 -47.61 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -34.86 78.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.778 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -65.93 -38.0 87.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.414 ' CD2' ' CD2' ' A' ' 103' ' ' HIS . 42.4 t90 -67.66 -38.91 84.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.477 ' SG ' HD21 ' A' ' 99' ' ' LEU . 2.0 t -64.74 -45.43 86.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -67.42 -38.97 85.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.32 -45.71 79.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.516 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -66.62 -31.25 71.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.723 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.802 HG23 ' CB ' ' A' ' 40' ' ' ALA . 62.3 m -88.44 7.36 33.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.313 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.58 128.93 34.17 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.787 0.327 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.21 -24.31 2.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.622 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.453 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 34.6 m-85 -85.45 121.43 73.61 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.393 0.139 . . . . 0.0 110.739 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 20' ' ' TYR . 16.7 Cg_exo -67.64 61.19 0.83 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.61 2.207 . . . . 0.0 112.698 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.86 40.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.769 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.435 HG22 HD22 ' A' ' 36' ' ' LEU . 40.8 t -140.54 120.84 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 111.078 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -122.62 127.67 49.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.773 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 t -121.02 98.34 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.332 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -152.47 23.95 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 31' ' ' SER . 1.6 m-20 -138.01 148.13 44.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.732 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.3 mm? -96.3 36.91 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.281 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 t -170.44 -80.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.81 0.338 . . . . 0.0 111.398 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -54.4 -25.85 27.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.527 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -66.11 -27.79 68.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.076 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.664 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 3.8 m95 -110.84 18.08 19.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.26 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.641 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -58.02 -56.3 23.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.697 0.284 . . . . 0.0 111.201 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.822 ' CG ' HD12 ' A' ' 36' ' ' LEU . 10.2 p30 -87.39 7.68 27.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.298 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.43 29.3 74.0 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.878 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.822 HD12 ' CG ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -75.09 -38.7 61.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 111.18 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.664 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -61.59 -47.4 85.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.281 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.632 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -65.61 -45.92 81.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -34.45 77.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.736 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.802 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -60.1 -43.72 95.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.47 HD23 ' CE2' ' A' ' 106' ' ' PHE . 2.6 mp -66.74 -52.28 46.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.658 HG12 ' CD1' ' A' ' 50' ' ' LEU . 11.8 t -58.82 -47.86 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.465 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 69.8 t80 -55.32 -37.99 68.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -43.0 99.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.774 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.46 -33.43 54.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.803 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.521 ' NE2' HD23 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -151.14 81.44 6.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.504 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 55.4 Cg_endo -70.2 -36.97 8.71 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.476 2.117 . . . . 0.0 112.497 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.11 -29.23 74.35 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.521 HD23 ' NE2' ' A' ' 46' ' ' GLN . 2.9 mm? -94.92 24.02 5.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.575 0.226 . . . . 0.0 111.495 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.658 ' CD1' HG12 ' A' ' 42' ' ' VAL . 1.2 mp -153.97 176.42 12.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.408 . . . . 0.0 111.286 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -157.25 61.84 2.47 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.611 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.429 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 10.4 Cg_endo -53.47 -34.51 72.28 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.875 2.383 . . . . 0.0 112.409 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.8 p -55.69 -45.07 77.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.455 ' O ' HD13 ' A' ' 58' ' ' LEU . 7.5 mt-10 -71.62 -50.22 32.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.226 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.499 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 2.0 mt -67.72 -14.48 62.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.507 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.787 ' HG3' HD11 ' A' ' 36' ' ' LEU . 11.8 tt0 -60.74 -39.77 89.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.471 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.81 -17.62 5.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.796 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -54.07 -30.58 48.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.961 0.41 . . . . 0.0 110.906 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.46 156.42 7.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.567 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -76.49 -55.6 5.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.782 0.325 . . . . 0.0 111.033 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.24 -37.41 77.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -70.04 -45.22 67.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.037 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.8 -44.01 94.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.196 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.732 ' CG2' ' HB1' ' A' ' 83' ' ' ALA . 12.8 t -67.59 -47.52 69.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.444 ' N ' HG23 ' A' ' 64' ' ' THR . . . -66.37 -43.51 85.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.342 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.672 ' O ' HG22 ' A' ' 70' ' ' VAL . 19.6 t90 -66.9 -41.59 86.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.823 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HA ' HG22 ' A' ' 70' ' ' VAL . . . -70.46 -37.87 74.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 68' ' ' LEU . 11.6 mt -65.68 -40.89 92.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.048 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -70.47 -48.34 56.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.1 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 66' ' ' TRP . 28.8 m -68.25 -42.36 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.428 ' N ' HG23 ' A' ' 70' ' ' VAL . . . -55.59 -43.87 76.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.087 0.47 . . . . 0.0 110.241 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 29.1 tt0 -69.84 -37.34 76.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.415 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -71.0 -41.42 70.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.472 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -81.14 -42.35 21.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.022 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.633 ' O ' HD23 ' A' ' 75' ' ' LEU . 3.8 tt -91.14 -33.76 15.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -178.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 83.0 34.99 19.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.354 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.658 HD11 ' HB3' ' A' ' 101' ' ' HIS . 1.7 tt -111.11 128.98 67.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.858 0.361 . . . . 0.0 111.18 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 m -74.3 124.07 89.64 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.454 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 49.6 Cg_exo -55.64 155.0 23.12 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.412 2.075 . . . . 0.0 112.323 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 80' ' ' VAL . 21.4 t -126.27 -1.92 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.768 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 82' ' ' SER . 21.5 t -144.9 159.11 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.809 0.338 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.485 ' N ' HG12 ' A' ' 81' ' ' VAL . 2.2 m -84.4 158.01 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.732 ' HB1' ' CG2' ' A' ' 64' ' ' THR . . . -64.98 -43.58 92.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.327 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -33.33 75.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.072 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.36 -46.27 70.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.392 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 83' ' ' ALA . 16.0 m -64.42 -40.92 90.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.43 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 83' ' ' ALA . 63.1 t -69.86 -32.66 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.0 -13.52 38.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.553 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.12 31.36 68.83 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.556 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -98.64 31.95 2.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.3 75.62 3.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -62.08 -42.8 27.61 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.633 2.222 . . . . 0.0 112.211 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.3 -39.02 93.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.98 -44.26 91.98 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.97 -42.82 94.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.5 mt -67.63 -41.12 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.33 97.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.454 ' CE1' ' HA ' ' A' ' 79' ' ' PRO . 2.4 t80 -69.13 -40.01 78.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.477 HD21 ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -58.92 -41.24 86.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.2 t -60.39 -36.76 78.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.658 ' HB3' HD11 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -66.0 -42.51 89.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -62.71 -35.88 81.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.414 ' CD2' ' CD2' ' A' ' 12' ' ' TRP . 10.4 t-80 -64.26 -41.6 96.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.5 m -56.43 -41.31 76.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.02 -40.24 22.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.47 ' CE2' HD23 ' A' ' 41' ' ' LEU . 3.3 m-85 -65.76 -38.99 90.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -71.35 -46.6 60.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.42 -65.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.148 -0.929 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 33.1 mmt . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 147.98 150.04 5.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -72.67 66.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -114.87 108.89 17.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 7.6 m170 60.79 166.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.03 -169.2 1.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.86 130.1 42.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -67.38 108.57 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.5 ttt -148.67 118.94 7.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.825 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -164.94 -67.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -62.33 -42.71 99.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.57 17.68 12.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.34 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.07 -36.37 0.76 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.3 p -87.17 -31.37 20.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -63.6 -32.69 74.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -62.76 -46.86 86.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.119 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 4.6 pt-20 -65.59 -31.63 72.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.404 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -66.03 -46.02 79.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.733 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.99 -34.88 78.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -41.27 97.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -67.56 -36.87 81.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.11 -45.52 84.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.011 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.15 -36.51 81.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -45.51 79.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.546 ' HB3' HD23 ' A' ' 41' ' ' LEU . 1.1 mp0 -69.39 -30.73 68.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.731 ' HB ' HG21 ' A' ' 25' ' ' VAL . 13.7 m -94.24 7.56 44.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.512 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.67 129.42 34.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.874 0.368 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.73 -26.03 2.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.673 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.703 ' O ' HG12 ' A' ' 23' ' ' VAL . 19.2 m-85 -86.36 121.33 72.46 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.465 0.174 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.79 101.82 0.4 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.379 2.053 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.5 22.75 4.31 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.433 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 20' ' ' TYR . 12.6 p -111.02 120.37 61.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.053 0.454 . . . . 0.0 111.061 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -117.75 73.49 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.564 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.731 HG21 ' HB ' ' A' ' 17' ' ' THR . 21.7 t -72.6 94.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.419 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 t -151.25 20.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -138.4 141.64 39.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.56 36.85 1.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 t -165.63 -68.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -61.17 -37.15 81.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 62.5 m -55.07 -26.77 39.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.277 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.624 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 4.6 m95 -104.18 8.72 36.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.414 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.761 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -55.43 -58.7 6.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.71 0.29 . . . . 0.0 111.301 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.757 ' CG ' HD12 ' A' ' 36' ' ' LEU . 10.9 p30 -79.44 -3.35 46.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.335 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.92 26.0 63.32 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.744 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.816 HD11 ' CG ' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -75.08 -36.3 61.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.726 0.298 . . . . 0.0 111.046 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.624 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -63.9 -47.13 81.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.277 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 42' ' ' VAL . 4.4 tp -68.43 -46.09 70.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.717 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 57.8 m -66.25 -37.49 85.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.783 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.71 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -59.6 -44.78 93.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.973 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.546 HD23 ' HB3' ' A' ' 16' ' ' GLN . 16.9 mt -62.91 -52.36 63.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.756 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.675 HG12 HD21 ' A' ' 50' ' ' LEU . 11.8 t -59.89 -42.63 89.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.442 ' CD1' ' HA ' ' A' ' 47' ' ' PRO . 81.0 t80 -60.05 -37.82 80.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.66 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -41.47 99.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.549 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.565 HD23 ' CE2' ' A' ' 106' ' ' PHE . 4.3 mm? -75.59 -30.43 59.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.45 ' O ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -149.86 82.59 6.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.597 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.442 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 50.7 Cg_endo -69.41 -26.05 29.63 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.6 2.2 . . . . 0.0 112.596 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.11 -33.87 43.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.653 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.888 ' O ' HD22 ' A' ' 50' ' ' LEU . 13.9 mt -99.13 27.58 5.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.715 0.293 . . . . 0.0 111.255 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.888 HD22 ' O ' ' A' ' 49' ' ' LEU . 2.5 mm? -142.1 164.47 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 111.019 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -154.7 64.51 4.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.36 -46.19 29.58 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.854 2.369 . . . . 0.0 112.581 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.9 p -55.04 -30.9 60.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.202 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.824 ' O ' HD13 ' A' ' 58' ' ' LEU . 25.1 tt0 -71.5 -50.02 35.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.364 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.8 HD11 ' CE3' ' A' ' 66' ' ' TRP . 1.1 mt -84.2 -9.74 58.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.683 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.816 ' CG ' HD11 ' A' ' 36' ' ' LEU . 1.5 tm0? -60.33 -35.48 75.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.547 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -118.47 -25.14 2.98 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.033 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.824 HD13 ' O ' ' A' ' 54' ' ' GLU . 1.9 mp -52.98 -35.21 58.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 111.283 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.45 149.98 6.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.691 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.761 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -78.13 -55.15 5.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.085 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.57 -40.41 83.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.38 -35.38 73.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 55' ' ' LEU . . . -67.06 -43.73 81.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.513 ' HB ' ' HB1' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -65.26 -50.61 65.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.73 -43.41 90.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.8 ' CE3' HD11 ' A' ' 55' ' ' LEU . 1.6 t90 -66.79 -44.94 79.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.717 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -63.69 -39.58 94.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.271 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.01 -44.05 93.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.293 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -68.67 -48.41 64.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.349 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 66' ' ' TRP . 26.8 m -68.26 -40.66 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.298 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.12 78.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.975 0.417 . . . . 0.0 110.442 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.522 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 5.2 tm-20 -69.87 -37.43 76.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.567 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -69.52 -41.21 76.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.384 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.22 -42.32 20.95 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.17 -42.11 6.16 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 96.56 28.3 9.1 Favored Glycine 0 N--CA 1.454 -0.115 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.235 -179.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.858 HD11 ' HB3' ' A' ' 101' ' ' HIS . 0.5 OUTLIER -93.41 122.51 44.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 111.044 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.9 m -74.18 115.17 40.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.413 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 44.3 Cg_endo -68.26 122.35 9.38 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.473 2.115 . . . . 0.0 112.208 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.591 ' O ' HG12 ' A' ' 80' ' ' VAL . 14.0 t -102.52 19.29 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.424 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -149.75 147.97 15.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.828 0.347 . . . . 0.0 111.031 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.5 m -82.87 159.92 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.76 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -64.99 -43.55 92.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -63.52 -33.87 76.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.55 -46.29 69.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.255 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 87' ' ' VAL . 8.4 p -70.56 -41.47 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.186 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 83' ' ' ALA . 59.2 t -67.74 -36.41 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.968 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.58 -13.46 37.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.504 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.0 28.34 60.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.609 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 t -79.06 -32.47 44.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.775 0.322 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.437 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -107.52 78.17 0.66 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.04 -42.8 27.86 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.491 2.127 . . . . 0.0 112.223 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.3 mt -58.41 -41.15 84.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.838 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.04 -37.66 93.34 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.38 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -42.72 96.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.9 mm -65.24 -41.16 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.59 92.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.597 ' HE2' HD11 ' A' ' 38' ' ' LEU . 11.2 t80 -69.27 -38.69 78.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.81 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.442 HD21 ' HH2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -58.37 -38.57 77.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.841 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 t -60.41 -42.02 95.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.776 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.858 ' HB3' HD11 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -64.72 -41.9 95.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -43.28 78.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -62.79 -43.19 99.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.8 m -58.59 -33.13 69.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.43 -44.29 17.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.565 ' CE2' HD23 ' A' ' 45' ' ' LEU . 3.2 m-85 -66.84 -33.07 74.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.04 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tptt -73.98 -31.36 62.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 m -90.06 -33.23 16.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 46.2 mtm . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.903 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 8.9 ttm . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.752 0.31 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 71.51 175.67 23.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.49 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -157.68 76.86 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.817 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -158.77 77.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 179.01 6.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -70.58 -60.57 2.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -114.91 128.33 56.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -108.31 -51.49 2.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -90.1 167.75 12.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 132.43 -28.53 3.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.547 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.36 -36.57 11.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.75 -30.83 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.67 -50.46 30.64 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.41 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -60.16 -45.08 94.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.883 0.373 . . . . 0.0 110.925 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -32.87 74.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.051 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.44 -46.87 68.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.478 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -65.42 -31.67 72.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 111.097 -179.799 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 69.2 mt -67.13 -46.34 74.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.32 -34.8 78.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -65.99 -38.34 88.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -67.65 -39.22 84.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -69.48 -45.45 68.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -60.91 -38.88 87.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -66.34 -45.49 80.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.798 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -68.37 -28.04 66.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.76 HG23 ' CB ' ' A' ' 40' ' ' ALA . 8.0 m -91.21 3.59 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.505 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.31 134.44 34.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.912 0.387 . . . . 0.0 111.079 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.77 -24.4 3.02 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.695 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.47 ' CE1' ' HB1' ' A' ' 40' ' ' ALA . 18.9 m-85 -86.14 141.61 35.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.604 0.24 . . . . 0.0 110.969 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.33 62.77 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.592 2.195 . . . . 0.0 112.353 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.87 40.21 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.138 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.678 HG21 ' O ' ' A' ' 17' ' ' THR . 14.9 p -93.01 120.83 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.977 0.418 . . . . 0.0 111.274 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.89 74.48 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.369 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -99.17 90.48 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.591 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -147.08 21.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -138.1 148.59 45.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mp -102.07 40.2 1.37 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.102 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 t -174.0 -80.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.383 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -56.36 -22.14 29.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.449 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -30.67 71.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.164 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.621 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 6.4 m95 -95.54 13.54 25.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.484 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.731 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -56.55 -58.13 9.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.655 0.264 . . . . 0.0 111.281 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.835 ' CG ' HD12 ' A' ' 36' ' ' LEU . 11.4 p30 -79.42 -2.11 40.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.395 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.31 32.29 75.64 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.647 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.835 HD12 ' CG ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -74.94 -40.54 60.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.621 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -59.99 -47.26 86.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.356 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.603 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -66.84 -46.03 76.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.01 -42.08 97.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.023 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.76 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -57.66 -46.96 83.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.295 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 38' ' ' LEU . 3.7 mt -59.52 -52.41 65.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 38' ' ' LEU . 21.7 t -59.33 -43.29 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.448 ' CD1' ' HD2' ' A' ' 52' ' ' PRO . 72.2 t80 -59.37 -38.0 79.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.809 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -63.0 -41.97 99.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.709 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.447 HD23 ' CZ ' ' A' ' 106' ' ' PHE . 4.1 mm? -78.6 -36.38 44.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.693 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -145.55 78.86 11.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.494 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.439 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 56.6 Cg_endo -70.78 -40.24 3.89 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.575 2.183 . . . . 0.0 112.566 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.97 -30.83 70.8 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.41 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.554 ' O ' HG11 ' A' ' 70' ' ' VAL . 2.8 mm? -96.25 24.81 5.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.597 0.237 . . . . 0.0 111.305 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.584 ' CD1' HG12 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -152.35 173.09 15.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.935 0.398 . . . . 0.0 111.249 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -158.83 59.16 1.41 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.582 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.448 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 10.5 Cg_endo -53.11 -31.29 53.83 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.095 2.53 . . . . 0.0 112.553 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.91 -47.26 71.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.285 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 4.0 mt-10 -71.72 -50.22 32.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.461 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 4.7 mt -70.72 -9.77 57.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.005 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.761 ' HG3' HD11 ' A' ' 36' ' ' LEU . 12.5 tt0 -60.48 -39.81 89.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.7 0.286 . . . . 0.0 111.316 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.26 -14.12 5.58 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.837 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -60.34 -28.82 68.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.797 0.332 . . . . 0.0 110.805 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.02 151.36 6.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.915 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.731 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -76.46 -56.2 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.958 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 61' ' ' LEU . 3.5 mm? -60.81 -37.63 82.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -64.38 -45.29 88.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.74 -43.63 95.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.43 -45.23 76.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.164 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.36 -43.72 93.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.451 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.638 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -66.96 -50.02 63.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.382 . . . . 0.0 111.025 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.4 -40.23 95.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.264 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -45.52 88.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.192 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -66.91 -48.42 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.184 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 66' ' ' TRP . 24.7 t -68.48 -38.8 79.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.191 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.15 79.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 0.0 110.576 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.481 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 13.2 pt-20 -70.09 -37.16 75.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.511 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -69.83 -41.28 75.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.384 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -42.28 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.196 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.6 mt -96.99 -38.71 9.68 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 94.7 25.68 14.8 Favored Glycine 0 CA--C 1.517 0.188 0 C-N-CA 120.35 -0.928 . . . . 0.0 112.231 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.8 mm -92.28 125.41 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.7 m -74.08 128.68 85.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.26 143.73 51.55 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.424 2.083 . . . . 0.0 112.34 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 t -113.17 -22.48 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.335 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.2 m -145.45 153.05 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.08 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 86' ' ' VAL . 87.1 p -76.01 148.7 37.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.674 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -58.44 -43.54 88.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.112 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -39.85 69.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.86 74.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 82' ' ' SER . 21.4 t -61.57 -47.12 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.105 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 83' ' ' ALA . 35.5 t -61.25 -34.19 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.02 -13.54 47.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.529 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.44 36.23 75.97 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.447 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 m -104.8 36.05 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.953 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -161.84 63.72 1.63 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.95 -42.23 65.63 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.586 2.191 . . . . 0.0 112.231 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.16 -42.11 85.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.12 -36.91 93.85 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.275 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 95' ' ' LEU . 3.7 mm? -61.48 -42.66 99.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.798 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.1 mm -64.13 -42.02 94.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.77 -37.41 86.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.402 ' CE1' ' CE1' ' A' ' 102' ' ' PHE . 8.8 t80 -63.87 -48.15 77.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -39.04 78.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.0 m -60.89 -40.29 92.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -68.22 -45.44 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.402 ' CE1' ' CE1' ' A' ' 98' ' ' TYR . 2.3 m-85 -66.86 -38.14 85.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -60.02 -41.52 92.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 m -58.54 -43.87 89.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.61 -40.43 63.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.447 ' CZ ' HD23 ' A' ' 45' ' ' LEU . 3.4 m-85 -65.76 -31.29 72.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -37.38 83.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.822 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m -98.93 31.68 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.16 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.843 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 2.1 mtm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.783 0.325 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . 164.63 62.23 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.546 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -174.85 4.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.896 0.379 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -142.92 114.51 8.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 53.0 p-80 -66.32 138.9 57.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -112.97 47.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -89.8 -50.01 6.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.43 34.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.53 113.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 115.9 12.85 8.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.78 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 m -124.51 -43.7 2.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.877 0.37 . . . . 0.0 110.706 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.91 -28.97 22.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.027 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.7 -27.26 61.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.421 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.57 -31.87 72.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.53 -33.13 74.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -47.06 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.324 -179.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -72.59 -31.61 65.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.586 ' CD2' HG23 ' A' ' 96' ' ' ILE . 12.8 tp -70.22 -46.85 63.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -63.37 -36.21 82.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -41.29 91.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.439 ' CZ2' ' HG3' ' A' ' 16' ' ' GLN . 74.1 t90 -67.65 -36.92 81.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.447 ' SG ' HD13 ' A' ' 99' ' ' LEU . 35.7 m -68.93 -45.54 70.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.29 -39.43 94.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.024 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -66.33 -45.57 79.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.994 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.439 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 12.3 mm-40 -69.37 -31.51 69.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.139 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.736 HG22 HG21 ' A' ' 23' ' ' VAL . 6.9 m -89.03 7.53 34.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.345 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.91 125.4 32.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.359 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.79 -34.26 0.88 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.64 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.643 ' O ' HG12 ' A' ' 23' ' ' VAL . 39.5 m-85 -78.16 138.7 60.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.691 0.282 . . . . 0.0 110.826 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.41 92.53 1.07 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.662 2.241 . . . . 0.0 112.492 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.33 -3.33 8.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.779 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.736 HG21 HG22 ' A' ' 17' ' ' THR . 10.2 p -78.41 120.69 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 0.0 111.01 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.27 93.52 4.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.668 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.598 HG21 ' HB ' ' A' ' 17' ' ' THR . 21.4 t -97.41 85.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.367 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.4 t -149.79 20.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -138.21 142.77 39.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.96 39.09 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.989 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 t -169.23 -78.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.348 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.9 t -56.8 -40.61 76.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.496 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.42 -27.0 33.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.401 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.618 ' CH2' HD21 ' A' ' 99' ' ' LEU . 12.6 m95 -102.28 14.58 31.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.566 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.402 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -62.85 -47.68 82.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.353 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 56.0 p-10 -86.14 5.55 33.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.389 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.52 21.68 35.73 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.847 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.674 HD22 ' HG3' ' A' ' 56' ' ' GLN . 20.8 tp -70.67 -30.44 67.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.804 0.335 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.409 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -61.91 -47.18 86.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.5 HD22 HD12 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -66.95 -46.18 75.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.69 -39.21 93.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.507 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 20' ' ' TYR . . . -59.39 -40.7 87.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.77 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 38' ' ' LEU . 10.1 mt -62.37 -51.6 66.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.738 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.551 HG12 HD13 ' A' ' 50' ' ' LEU . 22.0 t -58.75 -46.65 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.466 ' CD2' ' HD2' ' A' ' 52' ' ' PRO . 47.5 t80 -59.15 -37.74 78.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -38.2 89.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.79 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.485 HD21 ' CE2' ' A' ' 106' ' ' PHE . 3.9 mm? -86.46 -29.64 22.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.704 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -146.11 74.46 13.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.532 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 56.0 Cg_endo -70.64 -30.76 17.72 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.509 2.139 . . . . 0.0 112.252 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.77 -21.42 73.07 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.534 ' O ' HD12 ' A' ' 50' ' ' LEU . 34.7 mt -116.17 39.21 3.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.647 0.26 . . . . 0.0 111.324 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.551 HD13 HG12 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -161.34 170.7 19.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.001 0.429 . . . . 0.0 111.235 179.736 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -158.91 62.4 2.14 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.519 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.466 ' HD2' ' CD2' ' A' ' 43' ' ' TYR . 17.6 Cg_endo -57.14 -18.89 31.22 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.887 2.391 . . . . 0.0 112.676 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.4 p -62.16 -45.75 92.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.846 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -50.05 32.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.203 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 63' ' ' ALA . 4.0 mm? -62.78 -17.07 60.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.674 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.674 ' HG3' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -60.88 -39.83 90.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 111.268 -179.529 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -118.46 -10.31 8.76 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.841 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -31.13 71.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.769 0.319 . . . . 0.0 110.701 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.36 153.94 7.82 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.651 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -74.05 -64.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.319 . . . . 0.0 111.042 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 tt -62.28 -37.59 86.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.14 -44.9 96.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.037 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.61 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -63.86 -43.79 95.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.695 HG22 HD13 ' A' ' 68' ' ' LEU . 5.2 m -67.31 -50.73 58.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.54 98.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.74 ' O ' HG22 ' A' ' 70' ' ' VAL . 32.8 t90 -66.8 -42.2 86.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.999 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 71' ' ' ALA . . . -70.53 -37.68 74.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.254 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.695 HD13 HG22 ' A' ' 64' ' ' THR . 0.3 OUTLIER -66.47 -46.06 77.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.04 -179.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -48.49 74.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.915 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 66' ' ' TRP . 27.2 m -68.5 -38.63 79.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.015 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 67' ' ' ALA . . . -55.29 -44.24 75.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.033 0.444 . . . . 0.0 110.404 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.483 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 0.2 OUTLIER -69.66 -37.31 76.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.465 179.265 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.36 -41.19 70.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.519 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' OE1' HD13 ' A' ' 49' ' ' LEU . 36.6 mm-40 -80.8 -42.46 21.66 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.97 -45.31 5.22 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -178.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.483 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 110.17 19.72 7.89 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.691 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.7 mt -86.63 117.93 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.769 0.319 . . . . 0.0 111.108 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.4 t -74.15 133.47 78.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.36 134.17 62.33 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.44 2.093 . . . . 0.0 112.474 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.418 HG23 ' HE1' ' A' ' 98' ' ' TYR . 39.0 t -114.75 -23.72 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.273 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.2 m -130.58 160.47 41.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.495 ' O ' HG23 ' A' ' 86' ' ' VAL . 84.6 p -90.45 150.44 21.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -61.53 -43.68 98.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -37.77 67.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.85 79.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.539 HG13 HD21 ' A' ' 95' ' ' LEU . 21.6 t -66.43 -50.98 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.191 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 83' ' ' ALA . 21.8 t -63.55 -27.84 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.295 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.92 -13.47 53.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.485 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.88 27.59 59.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.61 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -112.94 31.87 6.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.705 0.288 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -155.95 57.13 1.44 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -61.97 -39.79 48.09 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.591 2.194 . . . . 0.0 112.238 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.19 -44.57 88.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.022 0.439 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.23 -36.27 89.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.273 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.539 HD21 HG13 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -61.88 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 110.803 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.586 HG23 ' CD2' ' A' ' 9' ' ' LEU . 60.9 mt -64.12 -41.22 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.72 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.67 -33.97 72.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.738 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.418 ' HE1' HG23 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -68.59 -45.55 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.785 179.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.618 HD21 ' CH2' ' A' ' 32' ' ' TRP . 59.8 mt -59.06 -32.74 70.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.74 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 m -59.95 -36.74 77.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.717 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -74.31 -41.74 60.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -63.42 -37.43 87.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.781 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -64.06 -45.17 89.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 m -58.69 -38.39 78.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.44 -41.67 27.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.485 ' CE2' HD21 ' A' ' 45' ' ' LEU . 3.3 m-85 -65.87 -31.05 71.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.5 -32.1 48.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 t -98.36 36.93 1.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.81 0.338 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -112.44 29.81 8.01 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -113.79 87.77 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -68.79 128.69 37.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -106.34 113.95 27.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -161.61 141.33 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.84 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 1.3 t60 67.67 29.22 7.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.8 mmm 57.09 170.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.005 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -176.81 -70.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.333 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -38.12 75.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.78 0.324 . . . . 0.0 110.804 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.06 -31.34 64.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.84 -51.19 60.58 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -68.01 -35.71 78.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.966 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.532 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -63.44 -32.73 74.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.967 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -62.6 -46.74 86.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.464 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 6.6 pt-20 -66.22 -33.95 76.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.845 0.355 . . . . 0.0 111.082 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.599 HD13 HG23 ' A' ' 96' ' ' ILE . 73.8 mt -73.84 -46.82 42.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.777 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -63.48 -45.98 88.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.034 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -59.71 -42.4 92.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.009 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.497 ' CZ2' ' CD2' ' A' ' 103' ' ' HIS . 73.9 t90 -63.76 -44.14 94.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.781 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.8 t -64.53 -45.39 87.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -61.18 -41.08 96.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -66.28 -45.59 79.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.764 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.68 -28.88 62.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.751 HG23 ' CB ' ' A' ' 40' ' ' ALA . 57.8 m -91.33 7.42 41.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.453 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.13 143.87 33.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.2 -36.15 2.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -70.08 128.47 91.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.568 0.223 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.42 68.42 1.5 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.651 2.234 . . . . 0.0 112.525 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.7 38.41 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.287 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.743 HG21 HG22 ' A' ' 17' ' ' THR . 14.1 p -117.76 120.67 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.037 0.446 . . . . 0.0 111.214 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -121.51 68.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.651 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.671 HG23 HG22 ' A' ' 23' ' ' VAL . 21.2 t -71.95 93.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.367 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.8 m -148.51 20.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.35 142.53 39.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.455 HD11 HD11 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -98.83 39.18 1.29 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.805 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -168.76 -77.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.29 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.3 m -56.14 -39.08 71.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.349 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.35 -24.16 27.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.42 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.645 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 6.8 m95 -102.29 14.77 31.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.352 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.791 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -59.28 -54.24 49.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.415 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.849 ' CG ' HD23 ' A' ' 36' ' ' LEU . 18.1 p30 -87.95 10.06 20.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.544 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.96 30.89 77.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.697 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.904 HD21 ' CG ' ' A' ' 56' ' ' GLN . 1.6 mm? -74.03 -34.22 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.645 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -68.75 -46.95 67.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.259 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.827 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.3 mp -68.96 -45.95 69.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.181 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 93.7 m -66.36 -43.08 87.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.086 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.751 ' CB ' HG23 ' A' ' 17' ' ' THR . . . -57.05 -45.97 82.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.164 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.0 mt -64.19 -50.53 67.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 38' ' ' LEU . 22.2 t -58.57 -39.19 74.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.358 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -69.23 -40.49 77.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.046 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -62.94 -30.66 71.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.032 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.747 HD13 ' CE2' ' A' ' 106' ' ' PHE . 1.6 mt -93.1 -50.48 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 6.9 pt20 -120.99 67.54 15.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.505 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.24 -27.52 34.77 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.587 2.192 . . . . 0.0 112.116 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.45 -15.45 72.91 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.63 34.41 4.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.693 0.282 . . . . 0.0 111.183 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.499 HD13 ' H ' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -148.85 158.62 44.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.968 0.413 . . . . 0.0 111.15 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.499 ' H ' HD13 ' A' ' 50' ' ' LEU . 31.0 mt-10 -148.33 71.09 10.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.29 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 56' ' ' GLN . 14.2 Cg_endo -56.37 -46.73 28.27 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.924 2.416 . . . . 0.0 112.655 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 p -54.0 -31.86 52.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.249 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.839 ' O ' HD13 ' A' ' 58' ' ' LEU . 53.0 tt0 -71.41 -50.31 33.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.508 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.442 ' N ' HD22 ' A' ' 55' ' ' LEU . 3.7 mm? -84.38 -9.62 58.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.938 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.904 ' CG ' HD21 ' A' ' 36' ' ' LEU . 2.4 tt0 -60.6 -37.56 81.77 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.46 -26.27 3.2 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.29 -0.957 . . . . 0.0 112.924 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.839 HD13 ' O ' ' A' ' 54' ' ' GLU . 1.8 mp -50.37 -34.62 24.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 111.263 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.31 150.69 6.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.715 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.791 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -77.24 -58.89 3.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.994 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.85 -37.6 76.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.6 -40.46 84.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -63.82 -42.77 97.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.091 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -46.8 78.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.19 -43.35 87.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.396 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.639 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.8 t90 -65.27 -49.96 67.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.992 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.7 -39.44 93.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.239 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.476 HD21 ' HB3' ' A' ' 79' ' ' PRO . 5.9 tp -65.38 -44.86 86.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -48.27 73.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.13 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 66' ' ' TRP . 32.7 m -68.49 -43.19 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.449 ' N ' HG23 ' A' ' 70' ' ' VAL . . . -55.48 -46.09 76.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 0.0 110.584 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 10.7 pt-20 -69.82 -37.1 76.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.596 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 3.8 m-20 -69.68 -41.34 75.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.478 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.78 -42.37 21.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -90.75 -33.99 15.52 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.22 26.97 16.94 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.43 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.2 mt -99.13 125.03 52.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.792 0.329 . . . . 0.0 111.185 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -74.14 133.63 78.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.476 ' HB3' HD21 ' A' ' 68' ' ' LEU . 52.9 Cg_exo -55.07 145.39 64.38 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.587 2.191 . . . . 0.0 112.436 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.4 t -117.76 -27.72 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.334 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 82' ' ' SER . 21.6 t -136.23 159.15 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 111.076 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.488 ' N ' HG12 ' A' ' 81' ' ' VAL . 0.4 OUTLIER -85.87 156.34 20.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.991 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.56 98.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -55.46 -37.71 68.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 91' ' ' ASP . . . -68.42 -43.85 76.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 82' ' ' SER . 21.6 t -67.75 -51.07 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.249 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 50.8 t -63.04 -36.38 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.09 -13.44 53.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.418 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.94 28.1 71.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.523 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -98.62 30.98 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.486 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 7.8 m-20 -161.41 69.48 2.46 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.05 -40.58 41.75 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.662 2.241 . . . . 0.0 112.248 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.33 -36.39 73.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.443 ' HA3' HG21 ' A' ' 81' ' ' VAL . . . -73.18 -38.77 54.13 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.442 HD22 HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.01 -43.25 95.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.599 HG23 HD13 ' A' ' 9' ' ' LEU . 32.1 mm -67.76 -46.78 81.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.02 92.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -69.05 -48.23 63.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.07 -42.01 84.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.2 t -61.77 -36.9 82.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.51 -42.17 78.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.56 -46.73 81.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.003 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.497 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 18.7 t-160 -66.43 -51.26 58.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 93.0 p -63.33 -42.4 98.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.406 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.45 85.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.42 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.747 ' CE2' HD13 ' A' ' 45' ' ' LEU . 24.9 m-85 -83.75 1.92 40.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.39 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.45 -30.39 23.56 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.87 0.367 . . . . 0.0 110.745 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 m -97.52 38.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 4.5 ptt? . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.8 0.333 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -139.96 114.34 0.97 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.543 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -145.18 -58.43 0.34 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.826 0.346 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -111.15 46.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 46.3 m80 60.96 158.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -137.96 121.06 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -109.16 -31.0 7.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.3 -75.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.5 mmt -106.36 -177.39 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 157.4 -61.27 0.33 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -64.76 1.01 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.84 0.352 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.95 -29.88 67.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.169 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.77 -41.86 99.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.55 -33.58 64.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.469 ' OE1' HD11 ' A' ' 96' ' ' ILE . 98.1 mm-40 -63.39 -32.89 74.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.57 -46.86 86.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.335 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -67.28 -31.7 72.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.064 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.687 HD22 HD12 ' A' ' 96' ' ' ILE . 1.1 mp -68.73 -48.66 63.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -63.7 -38.49 91.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.779 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -59.81 -42.52 93.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.014 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.496 ' CE2' ' CD2' ' A' ' 103' ' ' HIS . 45.7 t90 -67.71 -37.89 82.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -45.65 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.402 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 8.2 pt20 -65.2 -35.03 79.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.033 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -64.23 -45.82 86.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.432 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 17.5 mm-40 -70.73 -29.85 66.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.83 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.935 HG22 ' HB3' ' A' ' 40' ' ' ALA . 14.9 p -89.98 7.51 37.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.358 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.23 135.34 35.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.801 0.334 . . . . 0.0 111.099 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.52 -28.86 2.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.52 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.648 ' O ' HG12 ' A' ' 23' ' ' VAL . 50.9 m-85 -76.8 138.32 66.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.56 0.219 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.18 93.5 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.575 2.183 . . . . 0.0 112.507 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.93 -1.95 8.49 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.626 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 20' ' ' TYR . 11.0 p -78.47 120.63 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.955 0.407 . . . . 0.0 111.075 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -129.53 61.52 1.55 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.504 HG23 HG22 ' A' ' 23' ' ' VAL . 26.0 t -72.38 102.47 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.361 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -149.66 21.94 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -138.18 144.43 40.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.753 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.479 HD23 HD22 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -95.88 35.31 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.032 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.3 m -166.25 -71.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.379 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -56.86 -43.83 81.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.314 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.24 -29.95 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.279 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.458 ' CE3' ' HB3' ' A' ' 37' ' ' ALA . 33.9 m95 -89.17 -0.38 57.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.485 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.725 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -53.01 -58.9 5.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.708 0.29 . . . . 0.0 111.453 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.865 ' CG ' HD23 ' A' ' 36' ' ' LEU . 15.3 p30 -79.48 -6.92 57.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.3 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.63 34.96 59.42 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.548 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.894 HD21 ' HG2' ' A' ' 56' ' ' GLN . 2.1 mm? -74.95 -29.35 60.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.689 0.281 . . . . 0.0 111.08 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.458 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -66.41 -47.35 73.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 111.297 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.714 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -72.51 -34.83 67.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.436 ' HB3' ' CB ' ' A' ' 52' ' ' PRO . 10.5 m -69.18 -49.19 58.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.935 ' HB3' HG22 ' A' ' 17' ' ' THR . . . -58.84 -41.44 86.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.311 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.4 -52.56 64.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.011 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 38' ' ' LEU . 25.2 t -61.89 -49.63 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.206 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.427 ' HB2' ' HG3' ' A' ' 52' ' ' PRO . 50.0 t80 -54.82 -37.95 66.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.056 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -64.16 -43.14 96.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.978 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.687 HD22 ' CZ ' ' A' ' 106' ' ' PHE . 11.1 mp -76.28 -30.87 57.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.015 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -150.76 76.75 8.04 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.775 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 61.4 Cg_endo -73.28 -27.43 13.52 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.573 2.182 . . . . 0.0 112.32 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.72 -28.0 71.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.531 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.1 mt -105.99 25.59 10.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.672 0.272 . . . . 0.0 111.243 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.595 ' CD1' HG12 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -144.75 164.11 32.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 111.196 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 27.1 mt-10 -157.26 50.84 0.45 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.695 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 50' ' ' LEU . 20.3 Cg_endo -60.29 -17.36 46.29 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.73 2.287 . . . . 0.0 112.674 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.2 m -55.51 -41.28 72.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.053 0.454 . . . . 0.0 110.546 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.583 ' O ' HD13 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -71.68 -49.97 34.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.131 179.726 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 1.8 mt -73.95 -9.85 59.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.035 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.894 ' HG2' HD21 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -60.41 -34.29 73.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.32 . . . . 0.0 111.097 -179.328 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.09 -20.27 3.09 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.784 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -58.7 -33.6 70.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.882 0.372 . . . . 0.0 111.05 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.72 141.12 3.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.725 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -67.85 -57.28 6.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.452 HD11 ' N ' ' A' ' 84' ' ' GLN . 2.6 tp -60.56 -37.5 81.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -43.0 99.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.93 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 55' ' ' LEU . . . -67.31 -43.31 81.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.245 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 m -67.34 -50.74 58.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.065 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.63 98.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.223 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.65 ' O ' HG22 ' A' ' 70' ' ' VAL . 50.3 t90 -66.91 -42.05 86.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 71' ' ' ALA . . . -67.08 -37.38 83.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.158 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.6 mt -64.57 -46.04 84.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -48.21 72.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.154 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 66' ' ' TRP . 27.6 m -68.48 -38.55 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.987 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 67' ' ' ALA . . . -55.41 -44.03 75.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.464 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.43 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 3.1 tt0 -70.05 -37.54 75.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.395 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -68.58 -41.5 79.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.22 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -80.94 -42.37 21.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.533 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.407 HD21 HD23 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -103.79 -63.69 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.642 -179.258 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 117.24 35.22 1.13 Allowed Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.481 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.898 HG21 ' CE1' ' A' ' 102' ' ' PHE . 23.1 mm -84.13 130.41 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -74.14 115.18 40.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -57.39 135.38 69.64 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.468 2.112 . . . . 0.0 112.336 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.548 ' O ' HG12 ' A' ' 80' ' ' VAL . 21.2 t -126.73 1.16 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.714 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.1 m -149.74 160.44 4.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.803 0.335 . . . . 0.0 111.063 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.7 OUTLIER -98.25 159.41 14.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -63.79 -43.61 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.452 ' N ' HD11 ' A' ' 61' ' ' LEU . 23.6 pt20 -57.99 -36.17 72.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.46 -45.14 73.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 82' ' ' SER . 21.6 t -61.8 -48.35 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 83' ' ' ALA . 45.1 t -64.68 -30.35 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.202 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.61 52.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.514 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.5 30.3 55.43 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.584 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 m -107.65 35.83 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 0.0 110.966 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.418 ' N ' ' HD3' ' A' ' 92' ' ' PRO . 1.2 t70 -157.14 62.42 2.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.067 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 91' ' ' ASP . 40.0 Cg_exo -56.93 -42.85 59.97 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.436 2.091 . . . . 0.0 112.178 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.36 -41.99 85.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.42 -38.24 96.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.325 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.479 HD22 HD23 ' A' ' 28' ' ' LEU . 1.3 mp -61.15 -42.88 99.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.687 HD12 HD22 ' A' ' 9' ' ' LEU . 36.5 mm -63.8 -45.52 96.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.76 -43.4 85.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.42 ' CE2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -69.24 -47.09 65.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.43 -32.88 72.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.7 -37.58 82.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -72.9 -42.6 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.898 ' CE1' HG21 ' A' ' 77' ' ' ILE . 9.3 m-85 -67.76 -40.05 84.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.496 ' CD2' ' CE2' ' A' ' 12' ' ' TRP . 19.5 t-160 -64.63 -51.35 63.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.7 t -57.18 -38.62 73.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.83 -43.99 21.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.687 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 3.0 m-85 -66.08 -31.6 72.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.825 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -72.45 -56.88 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.2 m -63.53 -51.53 65.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 ttp . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.854 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -8' ' ' MET . . . . . . . . . . . . . 9.8 ttt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.819 0.342 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -176.05 -83.99 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 17.2 m170 60.69 108.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.979 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.72 29.56 3.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -150.0 136.95 19.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -75.27 121.8 22.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.87 146.75 29.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -129.87 169.75 14.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 60.67 78.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -145.55 27.88 1.79 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 p -129.61 -46.07 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.722 0.296 . . . . 0.0 110.798 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.82 -34.48 66.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.4 -28.51 65.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.548 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -65.26 -27.11 68.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.796 0.332 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -59.06 -32.75 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.71 -46.95 85.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 9' ' ' LEU . 1.9 pt-20 -64.98 -31.6 72.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.117 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -71.81 -39.74 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.955 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -43.05 98.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.042 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -66.0 -37.85 86.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.022 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.494 ' CE2' ' CD2' ' A' ' 103' ' ' HIS . 86.8 t90 -62.94 -39.81 95.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.025 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.1 t -66.61 -45.46 79.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.938 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -64.54 -38.25 90.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -45.54 79.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.767 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -34.62 76.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.83 ' HB ' HG21 ' A' ' 25' ' ' VAL . 59.7 m -88.26 7.47 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.399 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.85 148.48 31.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.16 -30.6 6.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.593 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -85.81 121.61 73.11 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.535 0.207 . . . . 0.0 110.784 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.68 120.74 6.29 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.438 2.092 . . . . 0.0 112.459 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.96 -28.07 14.22 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.257 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.45 120.47 29.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -105.16 139.73 39.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.738 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.83 HG21 ' HB ' ' A' ' 17' ' ' THR . 21.8 t -127.03 89.01 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.276 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.59 21.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.008 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -138.19 136.46 36.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.784 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.64 37.9 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.987 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -166.61 -70.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.029 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -57.8 -42.09 83.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.214 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -24.41 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.258 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.573 ' HH2' HD21 ' A' ' 99' ' ' LEU . 17.8 m95 -98.79 1.86 46.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.605 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.681 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -54.73 -59.64 4.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.685 0.279 . . . . 0.0 111.274 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.856 ' CG ' HD23 ' A' ' 36' ' ' LEU . 24.2 p30 -79.56 -2.96 44.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.243 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.04 26.83 63.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.631 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.856 HD23 ' CG ' ' A' ' 34' ' ' ASP . 1.4 mm? -67.66 -41.43 83.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.293 . . . . 0.0 110.96 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.437 ' HB3' ' CE3' ' A' ' 32' ' ' TRP . . . -60.0 -47.23 86.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.239 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.09 -45.99 75.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.422 ' HB3' ' HB3' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -61.54 -45.78 92.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.957 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.39 78.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.268 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.69 -52.42 64.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.58 -49.34 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CD1' ' CD ' ' A' ' 52' ' ' PRO . 63.6 t80 -56.52 -37.87 71.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.81 -42.34 99.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.504 HD13 ' CE2' ' A' ' 106' ' ' PHE . 11.1 mp -80.69 -37.29 31.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.497 ' O ' HD23 ' A' ' 50' ' ' LEU . 5.1 mm100 -139.51 72.78 36.71 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.769 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.439 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 59.2 Cg_endo -71.9 -25.73 19.57 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.59 2.193 . . . . 0.0 112.379 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.63 -37.34 77.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.701 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.876 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -102.16 30.03 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.713 0.292 . . . . 0.0 111.238 -179.663 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.891 HD11 HG21 ' A' ' 70' ' ' VAL . 2.8 mm? -140.02 166.73 23.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -155.35 61.55 2.98 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.419 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.452 ' CD ' ' CD1' ' A' ' 43' ' ' TYR . 19.4 Cg_endo -58.78 -35.97 97.79 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.958 2.439 . . . . 0.0 112.806 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 t -54.33 -36.53 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.124 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.59 ' O ' HD13 ' A' ' 58' ' ' LEU . 2.8 tt0 -71.75 -50.4 30.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.544 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.03 -9.64 59.6 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.818 ' CG ' HD21 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -60.43 -35.56 76.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.067 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -123.71 -8.59 6.2 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.324 -0.941 . . . . 0.0 113.346 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -72.2 -28.62 63.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.926 0.363 . . . . 0.0 111.175 -179.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.06 149.39 6.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.804 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.681 ' HB1' ' O ' ' A' ' 33' ' ' ALA . . . -76.18 -57.15 4.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.826 0.346 . . . . 0.0 111.007 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.66 -37.59 79.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.802 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -63.8 -46.8 83.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.97 -42.2 97.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.53 -50.32 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.55 97.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.727 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -66.91 -48.9 67.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 71' ' ' ALA . . . -63.92 -38.92 92.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.2 tp -65.35 -46.02 81.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.032 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.16 -48.38 73.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.01 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.891 HG21 HD11 ' A' ' 50' ' ' LEU . 26.9 m -68.58 -38.55 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.075 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 67' ' ' ALA . . . -55.65 -46.27 77.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.665 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.458 ' O ' ' HA2' ' A' ' 76' ' ' GLY . 10.7 pt-20 -70.11 -37.44 75.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.572 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -69.16 -41.63 76.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.282 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -81.11 -42.47 20.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.83 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.519 HD22 ' HB ' ' A' ' 77' ' ' ILE . 7.6 tt -96.43 -56.2 2.68 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -178.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 72' ' ' GLU . . . 109.9 29.79 3.69 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.463 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.798 HD11 ' HB3' ' A' ' 101' ' ' HIS . 1.6 tt -95.81 128.71 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.322 . . . . 0.0 111.258 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 75.1 m -74.08 126.13 89.51 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.17 137.22 70.11 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.447 2.098 . . . . 0.0 112.276 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.5 t -113.48 -19.51 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.35 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 82' ' ' SER . 21.6 t -139.47 156.57 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.814 0.34 . . . . 0.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.443 ' N ' HG12 ' A' ' 81' ' ' VAL . 65.9 m -86.92 160.87 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -65.0 -42.83 94.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -60.84 -34.78 75.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.49 -46.58 69.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.398 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 87' ' ' VAL . 29.4 m -70.29 -45.16 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.422 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 83' ' ' ALA . 46.9 t -61.86 -33.0 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.026 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.54 52.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.474 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 56.14 27.35 51.76 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.662 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.17 36.65 2.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.74 63.64 5.96 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.51 -42.75 63.26 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.568 2.179 . . . . 0.0 112.303 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -40.89 96.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.96 -40.34 88.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.95 -42.71 94.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.8 mt -67.66 -41.19 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.92 98.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -68.67 -43.34 76.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.573 HD21 ' HH2' ' A' ' 32' ' ' TRP . 9.1 mt -59.32 -32.98 70.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.8 m -66.23 -37.04 84.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.798 ' HB3' HD11 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -69.88 -45.41 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.541 ' CE1' HG21 ' A' ' 77' ' ' ILE . 4.0 m-85 -68.14 -36.61 79.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.494 ' CD2' ' CE2' ' A' ' 12' ' ' TRP . 8.7 t-160 -62.85 -51.23 67.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.1 p -64.39 -43.78 93.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.946 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.99 -44.27 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.197 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.504 ' CE2' HD13 ' A' ' 45' ' ' LEU . 3.2 m-85 -65.88 -30.27 70.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.437 ' HD3' ' CD2' ' A' ' 103' ' ' HIS . 1.3 ttpt -73.13 -28.75 62.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -97.11 37.87 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 stop_ save_