data_1ss3_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 1ss3 _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 ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.98 -0.533 . . . . 10.0 111.945 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -46.61 -33.0 3.83 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.804 1.039 . . . . 10.0 113.804 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -87.08 -44.82 11.26 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 125.578 1.551 . . . . 10.0 109.804 174.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -54.79 -28.74 51.27 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.905 1.684 . . . . 10.0 111.622 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.5 -40.08 51.2 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 123.026 0.53 . . . . 10.0 110.845 174.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.0 -43.42 78.91 Favored 'General case' 0 C--O 1.196 -1.73 0 O-C-N 121.235 -0.916 . . . . 10.0 109.73 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -61.74 -52.53 63.86 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 120.839 1.654 . . . . 10.0 112.294 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -61.23 -53.23 59.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.813 1.292 . . . . 10.0 110.447 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -64.53 -44.13 91.81 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 124.087 0.955 . . . . 10.0 110.914 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -55.85 -46.47 78.19 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 108.288 -1.004 . . . . 10.0 108.288 173.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -54.6 -39.46 67.9 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 119.79 1.177 . . . . 10.0 112.368 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -61.11 2.64 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 123.519 0.728 . . . . 10.0 111.87 173.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -66.61 -10.01 41.35 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.791 1.282 . . . . 10.0 112.168 173.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.2 t -83.55 -62.57 1.55 Allowed 'General case' 0 N--CA 1.437 -1.097 0 O-C-N 118.903 -2.373 . . . . 10.0 108.551 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -26.63 9.36 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 124.273 1.029 . . . . 10.0 111.695 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.02 -37.34 44.61 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.693 1.197 . . . . 10.0 112.455 170.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -12.96 4.93 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.289 -0.882 . . . . 10.0 112.828 174.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.05 7.77 87.41 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 127.188 2.328 . . . . 10.0 111.767 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -69.91 177.73 3.0 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 123.111 1.434 . . . . 10.0 111.769 174.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.66 156.98 35.52 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.87 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.38 -56.68 18.99 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 123.764 0.826 . . . . 10.0 111.543 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.09 -58.14 6.87 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.903 1.281 . . . . 10.0 111.22 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -56.24 -38.35 70.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 121.535 -0.728 . . . . 10.0 110.681 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -61.67 -37.65 84.86 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 117.634 -1.174 . . . . 10.0 111.618 174.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -65.53 0.67 Allowed 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 125.903 1.681 . . . . 10.0 111.125 175.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -25.1 6.43 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.624 0.77 . . . . 10.0 112.601 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.87 -63.87 1.26 Allowed 'General case' 0 C--O 1.205 -1.274 0 CA-C-O 115.557 -2.163 . . . . 10.0 112.296 174.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.9 m -44.7 -29.02 0.69 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.576 1.95 . . . . 10.0 112.673 173.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -61.27 -63.24 1.35 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.11 1.364 . . . . 10.0 110.812 173.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -72.68 -17.94 61.59 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 118.25 -0.881 . . . . 10.0 111.625 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -58.06 -69.46 0.18 Allowed 'General case' 0 C--O 1.233 0.225 0 C-N-CA 125.587 1.555 . . . . 10.0 109.647 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 N--CA 1.447 -0.619 0 CA-C-O 121.75 0.786 . . . . 10.0 109.579 -178.513 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 114.287 1.217 . . . . 10.0 114.287 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -46.81 -33.33 4.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.29 1.036 . . . . 10.0 112.369 174.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -92.4 -39.69 11.3 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 126.35 1.86 . . . . 10.0 110.451 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -53.19 -33.65 53.59 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 125.199 1.4 . . . . 10.0 110.449 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.8 -43.54 65.48 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 123.116 0.566 . . . . 10.0 111.073 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -44.01 91.89 Favored 'General case' 0 C--O 1.198 -1.614 0 CA-C-O 118.431 -0.795 . . . . 10.0 110.53 176.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -61.43 -52.45 64.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 120.444 1.474 . . . . 10.0 112.316 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -61.55 -53.54 55.04 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.995 0.918 . . . . 10.0 110.081 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.3 m -63.98 -43.81 94.59 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.965 1.306 . . . . 10.0 111.033 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.0 -48.22 78.99 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 107.978 -1.119 . . . . 10.0 107.978 173.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -52.97 -37.62 61.38 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 119.613 1.097 . . . . 10.0 112.763 177.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -56.19 -64.34 0.89 Allowed 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 124.282 1.033 . . . . 10.0 111.691 173.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -66.21 -8.71 26.09 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 122.434 1.111 . . . . 10.0 112.736 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.6 t -85.59 -60.0 2.15 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 119.623 -1.923 . . . . 10.0 109.598 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -25.12 10.87 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.658 1.183 . . . . 10.0 112.188 173.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.98 -36.51 49.89 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.63 1.172 . . . . 10.0 111.984 170.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -11.45 4.6 Favored 'General case' 0 C--N 1.342 0.258 0 O-C-N 120.997 -1.064 . . . . 10.0 113.355 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.37 7.72 87.98 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 127.262 2.363 . . . . 10.0 111.764 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -72.48 177.05 4.87 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 123.737 1.732 . . . . 10.0 111.717 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.46 149.81 23.98 Favored Glycine 0 C--N 1.333 0.373 0 CA-C-N 114.893 -1.049 . . . . 10.0 111.389 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -51.88 -43.64 63.38 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 117.943 -1.027 . . . . 10.0 112.276 177.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.31 -60.33 3.99 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.724 1.61 . . . . 10.0 110.627 -176.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -56.21 -39.48 72.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 121.868 -0.52 . . . . 10.0 110.404 175.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -33.68 76.02 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-O 117.822 -1.085 . . . . 10.0 111.775 175.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.07 -63.11 1.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 125.001 1.32 . . . . 10.0 109.666 177.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.8 ttm -55.76 -21.65 20.1 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.226 0.61 . . . . 10.0 112.488 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -86.76 -62.94 1.39 Allowed 'General case' 0 C--O 1.209 -1.029 0 CA-C-O 115.77 -2.062 . . . . 10.0 111.62 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.9 m -45.44 -29.73 1.19 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 127.707 2.403 . . . . 10.0 112.545 173.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -59.03 -66.18 0.55 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.441 1.096 . . . . 10.0 109.638 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -72.49 -14.8 61.75 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.256 -0.903 . . . . 10.0 112.731 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -60.34 -71.88 0.12 Allowed 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 126.039 1.736 . . . . 10.0 108.718 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.2 m . . . . . 0 N--CA 1.446 -0.664 0 N-CA-C 109.692 -0.485 . . . . 10.0 109.692 178.668 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.498 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -32.1 2.37 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.959 0.885 . . . . 10.0 113.087 175.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -89.76 -42.57 11.22 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 125.199 1.4 . . . . 10.0 109.526 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -30.32 65.52 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.423 1.011 . . . . 10.0 110.959 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -75.8 -38.3 58.36 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 123.346 0.658 . . . . 10.0 112.081 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -44.27 76.66 Favored 'General case' 0 C--O 1.205 -1.278 0 C-N-CA 120.143 -0.623 . . . . 10.0 111.204 175.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -60.85 -52.09 66.53 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 123.758 0.823 . . . . 10.0 112.441 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -60.97 -53.47 56.86 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 122.275 1.036 . . . . 10.0 110.351 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.0 m -64.58 -45.12 88.39 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 124.353 1.061 . . . . 10.0 110.704 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.6 t -55.63 -48.08 75.54 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 108.618 -0.882 . . . . 10.0 108.618 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.422 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 4.4 t-80 -51.35 -40.3 58.84 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 121.662 -0.649 . . . . 10.0 112.748 176.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -66.97 0.29 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 118.664 -0.684 . . . . 10.0 111.829 173.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -64.33 -9.82 20.27 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.246 1.022 . . . . 10.0 112.317 175.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.9 t -83.95 -61.76 1.74 Allowed 'General case' 0 C--O 1.218 -0.57 0 O-C-N 120.6 -1.313 . . . . 10.0 110.039 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.02 -24.66 3.94 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.633 1.173 . . . . 10.0 111.975 174.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.03 -32.57 34.86 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.531 1.132 . . . . 10.0 110.978 171.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -10.09 6.52 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 121.102 -0.999 . . . . 10.0 112.519 176.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.8 8.44 87.48 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 125.912 1.72 . . . . 10.0 111.631 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -76.19 178.79 6.14 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 123.376 1.56 . . . . 10.0 111.039 175.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.49 154.63 33.07 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 114.588 -1.187 . . . . 10.0 111.737 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 24' ' ' THR . 48.4 p90 -54.8 -52.61 62.11 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 114.642 -0.779 . . . . 10.0 111.02 176.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.429 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -54.2 -58.83 5.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 122.237 1.018 . . . . 10.0 111.814 -175.226 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -51.77 -47.01 64.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.193 -0.912 . . . . 10.0 110.951 177.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.15 -34.39 77.51 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-O 118.456 -0.783 . . . . 10.0 112.13 175.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -59.1 5.84 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 125.376 1.47 . . . . 10.0 108.818 177.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 ttt -60.77 -14.62 22.55 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.584 0.707 . . . . 10.0 112.253 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.49 -62.96 1.29 Allowed 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 118.267 -0.873 . . . . 10.0 112.406 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.8 m -45.06 -29.81 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 126.512 1.925 . . . . 10.0 111.806 171.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -58.45 -63.27 1.34 Allowed 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.838 173.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -70.49 -22.07 62.7 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.757 0.423 . . . . 10.0 111.636 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.76 -72.97 0.07 Allowed 'General case' 0 C--O 1.236 0.373 0 O-C-N 120.619 -1.301 . . . . 10.0 110.43 176.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 121.5 0.667 . . . . 10.0 110.322 179.785 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.654 0 CA-C-O 118.55 -0.738 . . . . 10.0 110.75 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -53.77 -27.66 30.24 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 125.029 1.332 . . . . 10.0 112.178 177.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -83.32 -47.7 11.2 Favored 'General case' 0 C--O 1.215 -0.732 0 C-N-CA 125.366 1.466 . . . . 10.0 112.556 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -57.81 -29.65 65.07 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 123.239 0.616 . . . . 10.0 111.721 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -39.05 47.41 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 124.508 1.123 . . . . 10.0 110.681 175.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -41.21 73.33 Favored 'General case' 0 C--O 1.197 -1.709 0 CA-C-N 119.851 1.205 . . . . 10.0 109.15 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -62.54 -52.45 63.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 121.73 2.059 . . . . 10.0 112.052 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -62.1 -51.45 67.87 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 122.492 1.139 . . . . 10.0 110.231 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.7 m -66.65 -41.63 87.92 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.227 1.011 . . . . 10.0 111.862 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -58.65 -45.15 89.94 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 172.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.424 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 3.2 t-80 -56.52 -36.83 69.66 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 121.025 1.738 . . . . 10.0 113.155 176.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -60.14 4.16 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 117.698 -1.144 . . . . 10.0 112.458 172.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -69.39 -8.02 42.84 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 122.759 1.266 . . . . 10.0 112.784 173.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.0 t -85.43 -60.84 1.91 Allowed 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 119.009 -2.307 . . . . 10.0 108.96 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -24.92 31.19 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 118.03 -0.986 . . . . 10.0 112.213 175.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -50.26 -38.99 43.65 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.317 1.447 . . . . 10.0 112.73 168.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -11.45 3.15 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 113.682 0.993 . . . . 10.0 113.682 173.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.0 7.37 88.66 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 127.437 2.446 . . . . 10.0 111.742 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -69.32 176.19 3.5 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 123.469 1.604 . . . . 10.0 112.275 173.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.96 158.39 36.55 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 114.855 -1.066 . . . . 10.0 112.296 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -61.66 -54.46 42.47 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 125.465 1.506 . . . . 10.0 112.897 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.51 -56.03 18.0 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.083 1.753 . . . . 10.0 111.443 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -57.13 -41.36 78.93 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.722 -0.611 . . . . 10.0 110.805 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.424 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -61.82 -34.02 75.19 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 117.608 -1.187 . . . . 10.0 112.596 174.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -66.49 0.54 Allowed 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 126.002 1.721 . . . . 10.0 109.896 176.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -27.07 7.97 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.462 1.028 . . . . 10.0 112.618 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -80.62 -64.17 1.25 Allowed 'General case' 0 C--O 1.209 -1.062 0 CA-C-O 115.828 -2.034 . . . . 10.0 111.469 174.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 67.3 m -47.51 -29.55 2.86 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.533 1.933 . . . . 10.0 113.864 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -59.31 -64.22 1.02 Allowed 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 126.951 2.101 . . . . 10.0 110.603 172.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -71.81 -18.75 62.07 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.012 -0.995 . . . . 10.0 112.031 176.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -60.77 -71.41 0.14 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 118.409 -2.682 . . . . 10.0 109.162 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 N--CA 1.443 -0.8 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.893 179.61 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.762 0 N-CA-C 113.067 0.766 . . . . 10.0 113.067 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -47.31 -34.74 7.07 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.704 1.372 . . . . 10.0 114.704 171.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -87.43 -43.11 12.32 Favored 'General case' 0 C--O 1.212 -0.881 0 C-N-CA 127.053 2.141 . . . . 10.0 109.698 173.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -57.17 -31.75 65.71 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 121.095 1.77 . . . . 10.0 112.412 177.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.26 -39.17 63.19 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.335 1.054 . . . . 10.0 111.779 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -43.81 77.75 Favored 'General case' 0 C--O 1.199 -1.567 0 CA-C-N 119.499 1.045 . . . . 10.0 110.436 175.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -61.41 -52.85 62.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 120.865 1.666 . . . . 10.0 112.134 177.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -60.01 -52.8 63.83 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 122.613 1.197 . . . . 10.0 110.791 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.3 m -66.29 -44.91 82.2 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.53 1.132 . . . . 10.0 110.886 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.2 t -56.65 -45.03 81.85 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 173.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -55.39 -36.69 66.67 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 123.921 0.888 . . . . 10.0 113.214 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -65.76 0.52 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.944 0.793 . . . . 10.0 112.695 171.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -64.92 -10.43 28.89 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 122.596 1.189 . . . . 10.0 113.081 173.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.1 t -83.9 -60.12 2.21 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 119.492 -2.005 . . . . 10.0 111.605 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.11 -24.27 17.08 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 117.207 -1.377 . . . . 10.0 112.489 173.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -50.9 -37.63 44.95 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.522 1.529 . . . . 10.0 112.238 167.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -11.04 3.06 Favored 'General case' 0 C--N 1.342 0.247 0 O-C-N 120.827 -1.171 . . . . 10.0 113.994 173.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.79 15.43 79.32 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 126.974 2.226 . . . . 10.0 111.339 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -77.37 174.94 10.24 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 123.0 1.381 . . . . 10.0 112.151 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.55 145.51 30.41 Favored Glycine 0 C--N 1.329 0.18 0 CA-C-N 115.32 -0.855 . . . . 10.0 111.569 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -46.39 -52.38 13.07 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 124.902 1.281 . . . . 10.0 110.429 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -57.44 12.39 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.02 1.328 . . . . 10.0 111.991 -175.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -55.57 -50.5 69.91 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.795 -0.566 . . . . 10.0 110.355 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.6 -32.61 69.15 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-O 117.354 -1.307 . . . . 10.0 113.273 174.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -66.49 0.54 Allowed 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 128.166 2.586 . . . . 10.0 108.839 176.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.5 mtp -54.01 -29.86 45.19 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.475 0.58 . . . . 10.0 112.547 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -76.42 -59.78 2.62 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 116.868 -1.539 . . . . 10.0 112.333 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.4 m -47.1 -28.89 1.92 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 126.632 1.973 . . . . 10.0 113.41 170.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -59.6 -63.21 1.38 Allowed 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 125.114 1.365 . . . . 10.0 110.937 172.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -71.25 -21.99 62.04 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.172 0.589 . . . . 10.0 111.856 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -56.2 -71.23 0.09 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 119.676 -1.89 . . . . 10.0 111.287 174.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 CA--C 1.531 0.24 0 CA-C-O 122.238 1.018 . . . . 10.0 110.779 -178.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.574 0 CA-C-O 119.05 -0.5 . . . . 10.0 111.882 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -44.93 -33.1 1.86 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.466 0.913 . . . . 10.0 113.466 174.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -89.46 -42.37 11.52 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 125.561 1.544 . . . . 10.0 110.589 174.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -56.76 -29.9 63.06 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 120.189 1.359 . . . . 10.0 111.59 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -78.37 -34.74 48.07 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 123.931 0.892 . . . . 10.0 111.17 174.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.54 -43.19 66.86 Favored 'General case' 0 C--O 1.197 -1.677 0 CA-C-O 118.2 -0.905 . . . . 10.0 110.045 175.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -62.49 -51.65 66.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 120.314 1.416 . . . . 10.0 111.526 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -61.3 -52.39 64.9 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 122.407 1.099 . . . . 10.0 110.211 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.4 m -64.69 -44.96 88.63 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.235 -0.893 . . . . 10.0 110.819 -178.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.1 t -56.61 -46.16 81.07 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.786 -0.82 . . . . 10.0 108.786 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -53.31 -40.42 64.77 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 118.304 -0.855 . . . . 10.0 111.298 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -66.48 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 118.939 0.79 . . . . 10.0 111.725 174.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.76 -13.19 30.09 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-O 123.205 1.479 . . . . 10.0 112.404 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.3 t -81.05 -64.78 1.11 Allowed 'General case' 0 N--CA 1.439 -1.015 0 O-C-N 119.376 -2.077 . . . . 10.0 110.223 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -24.78 5.18 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 125.078 1.351 . . . . 10.0 111.23 175.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.47 -36.76 45.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.236 1.014 . . . . 10.0 111.736 170.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -12.71 4.3 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.257 -0.902 . . . . 10.0 112.966 175.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.52 15.57 77.81 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 125.67 1.605 . . . . 10.0 110.123 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -78.9 178.91 7.61 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 122.584 1.183 . . . . 10.0 111.478 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.92 150.3 35.72 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.382 -0.826 . . . . 10.0 111.887 174.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -57.14 -56.06 26.65 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 117.824 -1.084 . . . . 10.0 110.533 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.23 -59.29 3.8 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 124.445 1.098 . . . . 10.0 111.192 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -54.11 -49.46 69.07 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.749 -0.594 . . . . 10.0 110.126 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -33.71 70.46 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 118.185 -0.912 . . . . 10.0 111.399 176.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -65.57 0.66 Allowed 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 126.211 1.804 . . . . 10.0 109.797 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -30.28 40.13 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.35 0.595 . . . . 10.0 111.963 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -62.17 1.67 Allowed 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 116.158 -1.877 . . . . 10.0 111.794 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 52.7 m -46.49 -28.51 1.42 Allowed 'General case' 0 CA--C 1.535 0.394 0 O-C-N 125.335 1.647 . . . . 10.0 111.349 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.86 -62.0 2.2 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 123.94 0.896 . . . . 10.0 110.741 174.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -70.93 -25.0 62.56 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 118.506 -0.759 . . . . 10.0 111.81 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.49 -73.02 0.05 Allowed 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.962 1.305 . . . . 10.0 110.111 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.934 0 CA-C-O 118.806 -0.616 . . . . 10.0 111.57 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -30.87 4.98 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 176.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.422 ' CE2' ' O ' ' A' ' 34' ' ' CYS . 20.5 t80 -86.2 -45.07 11.66 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.332 1.053 . . . . 10.0 112.996 173.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -55.37 -28.86 56.64 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 118.957 0.799 . . . . 10.0 111.577 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -78.5 -36.93 44.3 Favored 'General case' 0 C--O 1.21 -0.985 0 C-N-CA 123.665 0.786 . . . . 10.0 110.546 174.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -70.0 -42.78 72.58 Favored 'General case' 0 C--O 1.199 -1.561 0 CA-C-N 119.83 1.195 . . . . 10.0 110.144 176.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -62.91 -52.05 64.55 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 120.884 1.674 . . . . 10.0 111.394 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -61.47 -52.14 65.76 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 122.322 1.058 . . . . 10.0 110.036 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.4 m -64.85 -45.03 87.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.632 0.773 . . . . 10.0 110.901 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 42.2 t -57.29 -45.36 84.2 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.441 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.7 t-80 -54.4 -39.25 67.07 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 117.856 -1.068 . . . . 10.0 110.802 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -55.22 -69.76 0.12 Allowed 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 118.05 -0.976 . . . . 10.0 111.818 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.91 -17.13 35.02 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 123.033 1.396 . . . . 10.0 112.56 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.2 t -77.28 -70.56 0.46 Allowed 'General case' 0 N--CA 1.435 -1.22 0 O-C-N 120.025 -1.672 . . . . 10.0 109.701 176.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -24.25 9.31 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 125.051 1.34 . . . . 10.0 110.942 177.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -51.7 -36.31 46.17 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.655 1.182 . . . . 10.0 111.286 171.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -13.52 5.17 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 120.836 -1.165 . . . . 10.0 112.965 175.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.81 17.71 65.08 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 126.469 1.985 . . . . 10.0 110.167 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -78.53 179.01 7.33 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 122.627 1.203 . . . . 10.0 111.745 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.5 151.04 37.46 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.85 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -57.41 -57.54 12.22 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 117.253 -1.356 . . . . 10.0 111.118 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.99 -59.11 3.89 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 125.309 1.631 . . . . 10.0 110.593 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -54.05 -47.11 71.95 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 122.847 0.459 . . . . 10.0 110.463 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.441 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -59.27 -36.82 76.22 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-O 118.243 -0.884 . . . . 10.0 111.669 175.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.4 -67.52 0.45 Allowed 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 126.298 1.839 . . . . 10.0 110.843 177.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mmt -47.45 -28.81 2.31 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 124.487 1.115 . . . . 10.0 112.385 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -66.58 0.86 Allowed 'General case' 0 CA--C 1.498 -1.037 0 CA-C-O 115.788 -2.053 . . . . 10.0 111.596 174.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 59.0 m -45.07 -27.63 0.6 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.155 1.382 . . . . 10.0 112.119 176.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -60.46 -62.52 1.8 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.778 1.631 . . . . 10.0 110.352 174.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -73.5 -25.3 60.37 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.457 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.06 -71.06 0.08 Allowed 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.749 1.22 . . . . 10.0 109.933 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.422 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 1.8 t . . . . . 0 N--CA 1.442 -0.851 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.656 0 N-CA-C 112.419 0.526 . . . . 10.0 112.419 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -48.08 -31.74 5.91 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.432 0.901 . . . . 10.0 113.432 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -87.71 -43.06 12.2 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 125.577 1.551 . . . . 10.0 110.686 174.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -35.44 54.66 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 120.656 1.571 . . . . 10.0 110.148 176.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.58 -38.56 62.62 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 117.731 -1.128 . . . . 10.0 110.229 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.86 -43.04 76.22 Favored 'General case' 0 C--O 1.195 -1.764 0 CA-C-O 117.608 -1.187 . . . . 10.0 109.805 175.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -62.42 -52.59 62.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 120.847 1.658 . . . . 10.0 111.578 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -61.18 -51.99 66.72 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 122.735 1.255 . . . . 10.0 110.224 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -65.2 -45.11 86.12 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.403 -0.817 . . . . 10.0 111.005 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 35.3 t -56.9 -46.49 81.9 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.688 -1.227 . . . . 10.0 107.688 174.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -54.27 -37.66 64.95 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 119.466 1.03 . . . . 10.0 111.542 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -69.87 0.14 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 117.906 -1.045 . . . . 10.0 112.267 173.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.53 -17.7 23.49 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 122.782 1.277 . . . . 10.0 112.421 175.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.1 t -78.38 -66.8 0.81 Allowed 'General case' 0 N--CA 1.438 -1.06 0 O-C-N 119.676 -1.89 . . . . 10.0 110.246 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -23.65 20.89 Favored 'General case' 0 C--O 1.225 -0.203 0 O-C-N 120.857 -1.152 . . . . 10.0 111.103 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -52.31 -36.48 53.32 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.995 1.318 . . . . 10.0 111.758 170.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -12.06 5.77 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 121.331 -0.856 . . . . 10.0 113.291 174.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.36 18.98 67.58 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 126.538 2.018 . . . . 10.0 110.702 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -78.21 177.38 8.43 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 122.609 1.195 . . . . 10.0 111.824 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.87 147.03 34.52 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.624 174.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -52.28 -58.91 5.18 Favored 'General case' 0 C--O 1.219 -0.502 0 C-N-CA 124.445 1.098 . . . . 10.0 111.189 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.02 -58.14 6.11 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 125.45 1.5 . . . . 10.0 110.781 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.46 -47.83 69.39 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 122.816 0.446 . . . . 10.0 110.591 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.54 -37.11 74.98 Favored 'General case' 0 N--CA 1.433 -1.277 0 O-C-N 123.672 0.608 . . . . 10.0 112.009 176.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.66 -67.07 0.49 Allowed 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 125.986 1.714 . . . . 10.0 111.625 176.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.32 -28.93 3.44 Favored 'General case' 0 N--CA 1.461 0.103 0 C-N-CA 124.621 1.169 . . . . 10.0 111.995 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -80.35 -63.86 1.31 Allowed 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 114.753 -2.546 . . . . 10.0 111.931 174.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 50.6 m -44.74 -29.98 0.87 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.032 1.733 . . . . 10.0 112.55 175.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -57.44 -63.0 1.38 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.903 1.681 . . . . 10.0 110.727 173.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 m -74.25 -27.13 60.62 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.949 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -55.26 -66.15 0.46 Allowed 'General case' 0 C--O 1.233 0.208 0 C-N-CA 126.668 1.987 . . . . 10.0 109.524 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.45 -0.471 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.775 176.661 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 113.61 0.967 . . . . 10.0 113.61 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -49.45 -33.24 13.71 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.397 1.094 . . . . 10.0 113.217 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -87.72 -47.25 8.8 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 126.873 2.069 . . . . 10.0 111.144 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -39.61 58.49 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.375 1.443 . . . . 10.0 110.796 175.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -70.71 -42.65 70.32 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 124.89 1.276 . . . . 10.0 111.04 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -44.81 90.43 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-O 118.82 -0.61 . . . . 10.0 110.866 173.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -60.95 -54.5 44.26 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 125.459 1.503 . . . . 10.0 112.477 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.54 -50.42 73.61 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.828 1.251 . . . . 10.0 111.309 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.7 m -69.08 -42.2 76.51 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.29 1.436 . . . . 10.0 112.346 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.4 t -58.95 -44.38 91.42 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 108.728 -0.842 . . . . 10.0 108.728 169.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -56.75 -31.3 64.44 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.075 -1.641 . . . . 10.0 114.304 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.43 -68.88 0.26 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.225 1.81 . . . . 10.0 112.197 170.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -62.13 -14.84 41.07 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 122.733 1.254 . . . . 10.0 113.795 175.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.4 t -81.27 -60.02 2.43 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 119.638 -1.914 . . . . 10.0 112.654 173.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -24.21 63.87 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.831 -1.168 . . . . 10.0 112.251 174.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -50.15 -41.19 48.55 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 126.451 1.9 . . . . 10.0 111.977 166.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -9.03 1.07 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.856 1.428 . . . . 10.0 114.856 173.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.75 17.73 76.78 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 128.088 2.756 . . . . 10.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -77.03 170.41 16.58 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.539 1.162 . . . . 10.0 112.105 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.87 146.07 42.67 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 115.367 -0.833 . . . . 10.0 111.61 173.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -50.2 -57.88 6.8 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.523 1.529 . . . . 10.0 112.218 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 m -52.94 -55.41 23.64 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 127.34 2.256 . . . . 10.0 111.897 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -54.12 -49.36 69.35 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 122.754 0.422 . . . . 10.0 110.538 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -36.71 75.68 Favored 'General case' 0 C--O 1.205 -1.25 0 CA-C-O 117.875 -1.06 . . . . 10.0 113.492 175.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.18 -69.48 0.29 Allowed 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 126.933 2.093 . . . . 10.0 111.338 174.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -30.46 2.26 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.201 1.8 . . . . 10.0 113.209 176.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -62.83 1.54 Allowed 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 117.151 -1.404 . . . . 10.0 111.918 170.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 67.0 m -46.78 -29.05 1.74 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.689 1.996 . . . . 10.0 115.212 175.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -57.89 -65.53 0.62 Allowed 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 128.356 2.662 . . . . 10.0 110.414 169.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -72.19 -26.05 61.91 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 118.19 -0.91 . . . . 10.0 112.94 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -53.54 -69.99 0.1 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 128.268 2.627 . . . . 10.0 110.997 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.44 -0.936 0 N-CA-C 107.816 -1.179 . . . . 10.0 107.816 176.863 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.626 0 CA-C-O 118.199 -0.905 . . . . 10.0 112.34 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.16 -32.09 2.77 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 174.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.437 ' CE2' ' O ' ' A' ' 34' ' ' CYS . 32.4 t80 -88.19 -43.76 11.38 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 125.058 1.343 . . . . 10.0 112.98 173.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -55.82 -29.68 60.17 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 119.186 0.903 . . . . 10.0 111.316 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.54 -37.93 55.87 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 118.019 -0.991 . . . . 10.0 111.067 174.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -43.33 71.88 Favored 'General case' 0 C--O 1.196 -1.717 0 CA-C-N 119.581 1.082 . . . . 10.0 109.901 176.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -61.79 -51.82 66.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 120.813 1.642 . . . . 10.0 111.664 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -61.76 -52.78 62.81 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 122.972 1.368 . . . . 10.0 109.899 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.9 m -64.45 -44.5 90.91 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.902 -1.044 . . . . 10.0 110.951 -178.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.6 t -57.11 -46.89 82.26 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 107.767 -1.197 . . . . 10.0 107.767 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.434 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 4.6 t-80 -52.95 -39.53 62.98 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 119.222 0.919 . . . . 10.0 111.724 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -53.7 -65.74 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 118.04 -0.981 . . . . 10.0 112.358 174.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.62 -12.87 25.79 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 124.478 1.111 . . . . 10.0 112.539 173.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.3 t -83.07 -60.95 1.99 Allowed 'General case' 0 N--CA 1.439 -0.996 0 O-C-N 119.597 -1.939 . . . . 10.0 109.45 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -25.54 5.83 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 125.686 1.594 . . . . 10.0 111.705 174.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.78 -32.89 21.23 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.98 0.912 . . . . 10.0 112.536 170.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -11.87 7.28 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.528 0.731 . . . . 10.0 112.617 174.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.8 7.29 88.21 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 126.775 2.131 . . . . 10.0 111.043 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -73.72 179.04 4.39 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 123.475 1.607 . . . . 10.0 111.79 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.16 155.03 32.38 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 114.882 -1.054 . . . . 10.0 111.73 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.434 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 43.4 p90 -57.38 -48.47 78.97 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 117.303 -1.332 . . . . 10.0 111.054 176.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.415 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -59.3 -55.2 37.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 122.262 1.029 . . . . 10.0 110.13 -174.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -55.36 -47.44 75.76 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 121.571 -0.705 . . . . 10.0 110.353 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.63 -32.88 73.98 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-O 118.336 -0.84 . . . . 10.0 111.635 175.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -59.2 5.76 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 126.227 1.811 . . . . 10.0 108.85 177.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.4 mtt -62.52 -11.74 18.22 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 113.159 0.8 . . . . 10.0 113.159 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.32 -64.15 1.11 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 117.354 -1.308 . . . . 10.0 112.387 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.1 m -44.59 -30.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 127.021 2.128 . . . . 10.0 111.532 171.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -58.98 -62.05 2.17 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 123.642 0.777 . . . . 10.0 110.941 172.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -68.3 -27.39 66.26 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-O 118.24 -0.886 . . . . 10.0 111.614 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -54.72 -75.18 0.03 OUTLIER 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.43 1.092 . . . . 10.0 110.015 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.437 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 6.0 t . . . . . 0 N--CA 1.44 -0.962 0 N-CA-C 105.463 -2.051 . . . . 10.0 105.463 -175.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.861 -0.59 . . . . 10.0 109.824 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -54.59 -24.27 20.51 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 123.812 0.845 . . . . 10.0 111.653 178.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -90.77 -44.51 9.4 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.547 1.139 . . . . 10.0 112.043 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -59.25 -27.77 66.1 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 118.455 0.57 . . . . 10.0 111.246 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.63 -35.35 39.56 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 117.759 -1.115 . . . . 10.0 110.845 175.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.77 -41.63 64.84 Favored 'General case' 0 C--O 1.196 -1.731 0 CA-C-N 119.335 0.971 . . . . 10.0 109.602 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -63.33 -51.16 67.13 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 120.388 1.449 . . . . 10.0 111.05 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -63.09 -50.37 70.81 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 122.333 1.064 . . . . 10.0 110.394 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -65.75 -44.67 85.23 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.393 -0.822 . . . . 10.0 110.889 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 47.7 t -57.48 -46.37 83.77 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 107.778 -1.193 . . . . 10.0 107.778 175.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -53.81 -39.08 65.2 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 117.791 -1.099 . . . . 10.0 111.011 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.65 -70.82 0.1 Allowed 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 117.825 -1.083 . . . . 10.0 111.901 174.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.03 -17.68 27.61 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 123.711 1.72 . . . . 10.0 112.133 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.2 t -77.26 -69.14 0.55 Allowed 'General case' 0 N--CA 1.435 -1.208 0 O-C-N 119.265 -2.147 . . . . 10.0 109.953 177.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -24.66 11.56 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 124.769 1.228 . . . . 10.0 110.879 177.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.88 -38.92 57.98 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.444 1.098 . . . . 10.0 111.369 171.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -12.99 3.94 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 121.102 -0.999 . . . . 10.0 113.05 175.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.95 20.75 67.17 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 125.938 1.732 . . . . 10.0 109.877 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -76.18 178.92 6.04 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.871 1.32 . . . . 10.0 111.642 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.08 132.07 11.83 Favored Glycine 0 C--O 1.223 -0.571 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 175.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.01 -61.49 0.86 Allowed 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 125.281 1.432 . . . . 10.0 113.065 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.81 -56.69 6.87 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 125.215 1.406 . . . . 10.0 110.691 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.8 -45.77 74.39 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 123.031 0.533 . . . . 10.0 110.882 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -58.5 -37.76 76.25 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-O 118.472 -0.775 . . . . 10.0 111.739 175.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.49 -67.75 0.43 Allowed 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 125.339 1.456 . . . . 10.0 111.588 176.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.88 -29.28 1.92 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.342 1.057 . . . . 10.0 112.286 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -64.1 1.26 Allowed 'General case' 0 C--O 1.212 -0.885 0 CA-C-O 115.954 -1.974 . . . . 10.0 112.174 174.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 54.9 m -45.63 -27.9 0.88 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.135 1.374 . . . . 10.0 112.234 175.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -61.64 -61.91 2.19 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.034 1.334 . . . . 10.0 110.921 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.07 -22.01 60.67 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.469 -0.787 . . . . 10.0 111.741 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -54.34 -73.48 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.543 1.537 . . . . 10.0 109.651 178.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 N--CA 1.438 -1.031 0 N-CA-C 107.685 -1.228 . . . . 10.0 107.685 -179.706 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.499 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.29 -25.42 23.55 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.058 0.762 . . . . 10.0 113.058 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -89.94 -44.68 9.72 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 125.275 1.43 . . . . 10.0 111.188 174.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -29.98 67.89 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 119.027 0.831 . . . . 10.0 111.791 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.68 -37.77 59.26 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 117.872 -1.061 . . . . 10.0 111.161 174.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -43.31 71.04 Favored 'General case' 0 C--O 1.199 -1.589 0 CA-C-N 119.359 0.981 . . . . 10.0 109.899 176.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -61.43 -51.62 67.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 120.586 1.539 . . . . 10.0 111.72 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -62.3 -52.44 63.68 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 122.786 1.279 . . . . 10.0 110.314 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -64.21 -45.21 89.27 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.014 -0.993 . . . . 10.0 110.759 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -56.02 -47.57 77.55 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 124.544 1.138 . . . . 10.0 108.019 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 5.7 t-80 -52.71 -38.94 61.52 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 118.944 0.793 . . . . 10.0 112.06 177.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -54.28 -65.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 118.547 -0.74 . . . . 10.0 112.381 173.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -64.14 -10.56 23.57 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 122.62 1.2 . . . . 10.0 112.408 173.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.5 t -84.06 -60.19 2.18 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 119.247 -2.158 . . . . 10.0 110.069 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -24.89 8.84 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 125.691 1.596 . . . . 10.0 111.956 174.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -51.28 -33.72 29.77 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.636 1.175 . . . . 10.0 112.346 169.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -11.1 5.38 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 121.422 -0.799 . . . . 10.0 113.016 174.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.28 7.69 88.09 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 126.499 1.999 . . . . 10.0 111.385 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -73.59 178.73 4.51 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 123.524 1.63 . . . . 10.0 111.754 175.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.37 154.35 31.35 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 114.663 -1.153 . . . . 10.0 111.707 175.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.423 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 42.3 p90 -55.86 -49.3 73.71 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-O 117.373 -1.299 . . . . 10.0 110.957 176.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -55.07 39.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.383 1.087 . . . . 10.0 110.769 -174.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -55.1 -46.69 75.55 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 121.59 -0.694 . . . . 10.0 110.6 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -33.7 76.05 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-O 117.985 -1.007 . . . . 10.0 112.197 175.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -59.8 4.85 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 125.928 1.691 . . . . 10.0 108.45 176.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.3 mtt -61.93 -10.7 10.21 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.564 0.949 . . . . 10.0 113.564 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.8 -63.17 1.18 Allowed 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 116.551 -1.69 . . . . 10.0 112.453 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.5 m -45.72 -28.96 1.14 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.457 2.303 . . . . 10.0 112.114 171.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -57.75 -61.65 2.37 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-O 122.624 1.202 . . . . 10.0 111.089 172.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -70.22 -27.23 64.31 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 117.669 -1.158 . . . . 10.0 111.247 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -53.45 -73.0 0.05 OUTLIER 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.489 1.116 . . . . 10.0 110.541 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.1 m . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 107.938 -1.134 . . . . 10.0 107.938 -177.139 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.301 0 N-CA-C 112.995 0.739 . . . . 10.0 112.995 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -47.02 -32.15 3.76 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.665 0.987 . . . . 10.0 113.665 174.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -90.97 -40.9 11.42 Favored 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 125.34 1.456 . . . . 10.0 109.212 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -35.9 59.97 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.782 1.628 . . . . 10.0 109.374 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.9 -40.86 65.19 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 123.812 0.695 . . . . 10.0 109.978 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.0 -45.29 82.08 Favored 'General case' 0 C--O 1.2 -1.526 0 O-C-N 121.743 -0.598 . . . . 10.0 110.42 176.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -60.58 -53.25 59.76 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 125.002 1.321 . . . . 10.0 112.255 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.36 -54.27 47.67 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 122.759 1.266 . . . . 10.0 110.373 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.4 m -63.28 -45.36 91.8 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 124.339 1.055 . . . . 10.0 110.743 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 46.9 t -55.75 -49.02 74.22 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.168 -1.049 . . . . 10.0 108.168 173.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -51.69 -38.17 53.86 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 119.091 0.86 . . . . 10.0 112.201 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -55.97 -68.39 0.21 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 123.727 0.811 . . . . 10.0 112.127 173.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -61.24 -14.2 24.16 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.499 1.142 . . . . 10.0 112.531 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.7 t -81.28 -66.1 0.93 Allowed 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 120.36 -1.462 . . . . 10.0 110.046 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -25.7 7.84 Favored 'General case' 0 C--O 1.224 -0.253 0 O-C-N 120.547 -1.346 . . . . 10.0 111.958 175.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -51.0 -37.52 45.59 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.999 1.32 . . . . 10.0 110.595 171.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.25 -11.9 4.68 Favored 'General case' 0 C--N 1.343 0.302 0 O-C-N 120.666 -1.271 . . . . 10.0 112.285 176.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.12 16.8 71.08 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 126.842 2.163 . . . . 10.0 111.182 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -79.4 176.91 9.26 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 122.675 1.226 . . . . 10.0 111.476 178.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.19 143.81 27.75 Favored Glycine 0 C--N 1.333 0.402 0 N-CA-C 111.013 -0.835 . . . . 10.0 111.013 174.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.427 ' CG ' ' N ' ' A' ' 24' ' ' THR . 11.5 p90 -48.41 -46.73 37.73 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 124.505 1.122 . . . . 10.0 112.071 175.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.427 ' N ' ' CG ' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -58.1 -62.08 2.08 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 124.918 1.287 . . . . 10.0 111.773 -178.297 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -53.18 -44.51 67.96 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.549 176.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.2 -37.24 79.65 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 118.431 -0.795 . . . . 10.0 111.137 176.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.69 -66.94 0.48 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 126.194 1.798 . . . . 10.0 111.436 176.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.4 ttp -49.61 -27.35 4.45 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.937 0.895 . . . . 10.0 111.707 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.41 -63.19 1.45 Allowed 'General case' 0 C--O 1.21 -0.981 0 CA-C-O 116.384 -1.77 . . . . 10.0 111.394 174.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 44.6 m -44.1 -28.54 0.5 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.508 1.923 . . . . 10.0 111.915 176.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.1 -62.3 1.87 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 122.812 1.291 . . . . 10.0 110.065 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.38 -17.71 60.78 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.44 177.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -56.44 -68.73 0.19 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.09 1.356 . . . . 10.0 110.896 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 122.061 0.934 . . . . 10.0 110.554 179.008 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.758 0 CA-C-O 117.542 -1.218 . . . . 10.0 113.579 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -47.71 -32.66 6.03 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 114.004 1.112 . . . . 10.0 114.004 173.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -87.39 -43.31 12.2 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 125.446 1.498 . . . . 10.0 113.073 171.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -56.88 -30.1 63.58 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 120.762 1.619 . . . . 10.0 111.542 176.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -78.77 -38.42 38.65 Favored 'General case' 0 C--O 1.21 -0.979 0 C-N-CA 123.791 0.836 . . . . 10.0 110.316 174.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.25 -41.36 77.04 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-O 117.242 -1.361 . . . . 10.0 110.646 175.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -63.45 -52.01 63.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 121.29 1.859 . . . . 10.0 111.399 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.48 -51.38 68.92 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 122.081 0.943 . . . . 10.0 110.161 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.7 m -65.77 -44.6 85.37 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.739 0.816 . . . . 10.0 111.511 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 42.0 t -57.35 -46.87 82.88 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.405 -0.961 . . . . 10.0 108.405 174.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.445 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.6 t-80 -54.23 -37.45 64.63 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 117.548 -1.215 . . . . 10.0 111.823 176.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -56.15 -70.06 0.13 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 117.529 -1.224 . . . . 10.0 112.273 172.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.87 -17.63 25.75 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 123.738 1.732 . . . . 10.0 113.13 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.2 t -77.49 -67.06 0.76 Allowed 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 119.225 -2.172 . . . . 10.0 110.905 176.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -22.8 32.7 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-O 117.094 -1.432 . . . . 10.0 111.503 177.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -50.91 -41.26 58.42 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.952 1.301 . . . . 10.0 111.882 167.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -12.84 1.32 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 114.494 1.294 . . . . 10.0 114.494 174.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.03 20.43 67.69 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 127.024 2.25 . . . . 10.0 109.24 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -75.13 177.76 6.2 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 123.383 1.563 . . . . 10.0 112.239 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.04 131.65 12.63 Favored Glycine 0 C--O 1.224 -0.521 0 O-C-N 120.946 -1.096 . . . . 10.0 110.617 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.75 -56.95 2.04 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 126.103 1.761 . . . . 10.0 112.806 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.3 -58.04 7.26 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 125.913 1.685 . . . . 10.0 111.394 177.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -54.09 -45.2 71.75 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 123.12 0.568 . . . . 10.0 110.908 177.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.445 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -58.43 -38.48 77.55 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 118.125 -0.941 . . . . 10.0 112.842 174.39 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.45 -66.77 0.51 Allowed 'General case' 0 C--O 1.213 -0.856 0 CA-C-O 116.469 -1.729 . . . . 10.0 111.702 174.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -29.08 4.03 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.277 1.399 . . . . 10.0 113.055 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.18 -63.1 1.5 Allowed 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 113.69 -3.052 . . . . 10.0 113.051 172.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 66.3 m -46.9 -27.54 1.29 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.129 1.771 . . . . 10.0 113.174 173.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -61.06 -62.41 1.87 Allowed 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.465 1.506 . . . . 10.0 111.306 172.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -72.29 -24.05 61.28 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.013 -0.994 . . . . 10.0 112.161 177.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -55.65 -72.52 0.07 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.385 1.474 . . . . 10.0 109.578 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.443 -0.81 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.135 176.834 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.64 -0.695 . . . . 10.0 112.345 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -47.35 -33.0 5.35 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.819 1.044 . . . . 10.0 113.819 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -88.42 -42.55 12.09 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 126.3 1.84 . . . . 10.0 110.497 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -29.91 61.23 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.924 1.693 . . . . 10.0 111.654 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.12 -36.14 48.27 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 123.7 0.8 . . . . 10.0 111.063 174.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -70.33 -43.29 70.57 Favored 'General case' 0 C--O 1.196 -1.716 0 CA-C-N 119.298 0.954 . . . . 10.0 110.014 175.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -62.18 -51.9 65.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 120.943 1.701 . . . . 10.0 111.577 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.12 -52.6 64.21 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 122.071 0.939 . . . . 10.0 110.052 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.4 m -64.93 -45.6 85.15 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.536 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.5 t -56.91 -45.27 82.77 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 124.414 1.086 . . . . 10.0 108.105 175.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -53.68 -39.74 65.39 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 123.859 0.863 . . . . 10.0 111.852 174.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -64.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 119.152 0.887 . . . . 10.0 112.538 174.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -63.9 -11.83 31.43 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 122.554 1.169 . . . . 10.0 112.264 173.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.4 t -82.78 -62.21 1.66 Allowed 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 119.347 -2.095 . . . . 10.0 110.183 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.19 -25.04 8.16 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 125.152 1.381 . . . . 10.0 111.52 175.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -50.73 -36.36 36.04 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.022 0.929 . . . . 10.0 112.61 169.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -12.59 4.61 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.02 -1.05 . . . . 10.0 113.339 174.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.65 15.46 77.84 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 126.643 2.068 . . . . 10.0 110.437 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -78.12 177.97 7.92 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.625 1.202 . . . . 10.0 111.712 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.52 146.59 27.47 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.456 -0.793 . . . . 10.0 111.521 174.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.426 ' CG ' ' N ' ' A' ' 24' ' ' THR . 11.5 p90 -49.53 -47.9 48.6 Favored 'General case' 0 C--O 1.207 -1.145 0 CA-C-O 117.666 -1.159 . . . . 10.0 110.687 176.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.426 ' N ' ' CG ' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -59.13 -59.61 5.18 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.141 0.977 . . . . 10.0 110.843 -176.185 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -54.62 -48.78 71.81 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.915 -0.491 . . . . 10.0 110.203 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.38 -34.17 72.09 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-O 117.964 -1.017 . . . . 10.0 111.489 175.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -66.33 0.56 Allowed 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 126.815 2.046 . . . . 10.0 109.55 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mtp -53.8 -29.95 42.78 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.031 0.443 . . . . 10.0 111.965 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -62.95 1.42 Allowed 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 116.684 -1.627 . . . . 10.0 111.352 177.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 64.0 m -45.34 -28.47 0.85 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.226 1.81 . . . . 10.0 111.325 173.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -59.65 -61.58 2.52 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.514 1.126 . . . . 10.0 111.339 173.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -72.42 -22.73 61.06 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.688 177.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -53.98 -73.11 0.05 Allowed 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.758 1.223 . . . . 10.0 109.473 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 121.615 0.721 . . . . 10.0 109.533 -176.825 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.614 0 N-CA-C 113.961 1.097 . . . . 10.0 113.961 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -48.84 -34.42 12.47 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.524 1.13 . . . . 10.0 113.532 172.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -88.23 -45.99 9.61 Favored 'General case' 0 C--O 1.213 -0.843 0 C-N-CA 127.673 2.389 . . . . 10.0 109.422 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -55.39 -32.38 62.59 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.6 1.545 . . . . 10.0 110.826 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -75.95 -37.43 58.66 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 118.037 -0.982 . . . . 10.0 111.117 175.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.28 -43.46 73.82 Favored 'General case' 0 C--O 1.199 -1.581 0 CA-C-O 117.667 -1.159 . . . . 10.0 109.911 175.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -61.83 -52.87 62.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 120.977 1.717 . . . . 10.0 111.881 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -61.16 -51.58 68.46 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 122.778 1.275 . . . . 10.0 110.593 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.4 m -65.71 -44.57 85.69 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.399 -0.819 . . . . 10.0 111.135 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -57.4 -46.44 83.46 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 108.025 -1.102 . . . . 10.0 108.025 173.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -54.12 -36.13 62.91 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 119.802 1.183 . . . . 10.0 112.436 176.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -68.95 0.22 Allowed 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 117.888 -1.053 . . . . 10.0 112.333 173.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -19.92 28.3 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 122.592 1.187 . . . . 10.0 113.287 174.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.8 t -77.29 -65.33 0.97 Allowed 'General case' 0 N--CA 1.441 -0.922 0 O-C-N 119.945 -1.722 . . . . 10.0 111.047 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -21.3 48.28 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.814 1.246 . . . . 10.0 111.677 176.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -53.51 -36.6 61.91 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.692 1.597 . . . . 10.0 111.841 168.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -11.87 3.31 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 114.091 1.145 . . . . 10.0 114.091 173.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.94 18.21 70.47 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 127.102 2.287 . . . . 10.0 111.122 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -77.1 176.87 8.29 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 123.088 1.423 . . . . 10.0 112.093 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.25 148.96 38.3 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-N 115.381 -0.827 . . . . 10.0 112.241 173.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -56.16 -56.05 25.66 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-O 117.315 -1.326 . . . . 10.0 111.821 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -57.64 8.35 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 126.167 1.787 . . . . 10.0 111.519 178.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -53.82 -47.8 70.53 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 119.169 -0.443 . . . . 10.0 110.759 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.0 -38.13 78.47 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 118.341 -0.838 . . . . 10.0 112.618 175.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -67.87 0.41 Allowed 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 126.914 2.085 . . . . 10.0 111.165 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -29.15 3.76 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.249 1.42 . . . . 10.0 112.65 178.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.8 -62.11 1.79 Allowed 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 115.267 -2.301 . . . . 10.0 113.02 172.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.8 m -47.65 -27.8 2.08 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.681 1.992 . . . . 10.0 113.153 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -61.9 -63.3 1.3 Allowed 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 126.124 1.769 . . . . 10.0 110.295 173.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.75 -23.2 61.57 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 118.438 -0.791 . . . . 10.0 112.391 177.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.64 -70.31 0.11 Allowed 'General case' 0 C--O 1.236 0.358 0 C-N-CA 126.501 1.92 . . . . 10.0 109.74 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 121.569 0.699 . . . . 10.0 110.378 178.724 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.774 0 CA-C-O 118.877 -0.582 . . . . 10.0 112.377 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -48.14 -31.83 6.16 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.402 0.89 . . . . 10.0 113.402 173.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -88.08 -43.16 11.89 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 124.877 1.271 . . . . 10.0 113.689 172.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -30.11 65.19 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 125.045 1.338 . . . . 10.0 111.949 175.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -77.55 -36.42 52.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 117.7 -1.143 . . . . 10.0 111.566 172.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -42.4 72.56 Favored 'General case' 0 C--O 1.194 -1.825 0 CA-C-O 117.049 -1.453 . . . . 10.0 110.473 174.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -62.64 -51.68 66.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 121.769 2.077 . . . . 10.0 111.792 177.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.46 -51.86 66.92 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.391 1.091 . . . . 10.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.2 m -66.8 -43.98 82.45 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.13 0.972 . . . . 10.0 110.992 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 45.6 t -57.25 -45.53 83.9 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 123.591 0.756 . . . . 10.0 109.106 173.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -54.38 -38.68 66.41 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 117.468 -1.253 . . . . 10.0 112.616 174.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -54.35 -65.88 0.5 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.058 -0.972 . . . . 10.0 112.492 172.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.49 -12.22 30.12 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 123.47 1.605 . . . . 10.0 113.219 174.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 t -81.99 -63.61 1.35 Allowed 'General case' 0 N--CA 1.443 -0.788 0 O-C-N 118.962 -2.336 . . . . 10.0 111.365 176.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -23.98 9.22 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 116.743 -1.599 . . . . 10.0 112.016 174.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -50.94 -36.4 38.49 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.053 1.341 . . . . 10.0 112.942 167.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -11.86 3.91 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 114.071 1.137 . . . . 10.0 114.071 173.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.24 16.05 77.21 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 126.724 2.107 . . . . 10.0 110.74 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -77.04 176.9 8.24 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 122.999 1.381 . . . . 10.0 112.346 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.87 144.26 28.63 Favored Glycine 0 C--N 1.329 0.164 0 CA-C-N 115.274 -0.876 . . . . 10.0 111.597 173.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -47.25 -48.61 24.45 Favored 'General case' 0 C--O 1.211 -0.952 0 C-N-CA 125.205 1.402 . . . . 10.0 110.573 175.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -57.32 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 124.227 1.011 . . . . 10.0 110.935 -175.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -57.7 -43.68 85.36 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.638 0.732 . . . . 10.0 111.262 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -36.05 79.91 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 117.447 -1.263 . . . . 10.0 112.761 173.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -65.85 0.63 Allowed 'General case' 0 CA--C 1.506 -0.739 0 C-N-CA 127.499 2.32 . . . . 10.0 109.437 177.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.2 ptm -51.72 -37.33 50.52 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.703 0.764 . . . . 10.0 112.174 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -71.63 -59.32 2.82 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 115.911 -1.995 . . . . 10.0 110.809 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 31.2 m -46.1 -29.36 1.49 Allowed 'General case' 0 CA--C 1.536 0.421 0 O-C-N 125.245 1.591 . . . . 10.0 113.464 170.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -60.82 -61.62 2.45 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 125.342 1.457 . . . . 10.0 111.185 172.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -71.12 -26.62 63.1 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-O 117.633 -1.175 . . . . 10.0 111.869 177.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -52.98 -76.69 0.02 OUTLIER 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.093 1.357 . . . . 10.0 109.5 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.441 -0.876 0 N-CA-C 106.429 -1.693 . . . . 10.0 106.429 -178.593 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.381 0 N-CA-C 112.011 0.374 . . . . 10.0 112.011 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.87 -32.82 6.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.507 1.123 . . . . 10.0 112.269 172.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.407 ' CE2' ' O ' ' A' ' 34' ' ' CYS . 27.3 t80 -87.36 -45.07 10.89 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.291 1.036 . . . . 10.0 111.615 175.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -56.46 -33.81 66.27 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 118.941 0.791 . . . . 10.0 110.43 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -69.5 -44.19 71.59 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.767 0.827 . . . . 10.0 110.723 173.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -45.08 90.08 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 118.025 0.375 . . . . 10.0 110.223 178.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -60.82 -54.42 45.39 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 124.806 1.242 . . . . 10.0 112.137 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -60.25 -52.9 63.33 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 122.967 1.365 . . . . 10.0 110.866 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.5 m -64.79 -43.42 93.26 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.586 1.154 . . . . 10.0 112.001 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.0 t -58.67 -45.44 89.41 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 119.114 0.87 . . . . 10.0 108.687 172.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -54.71 -34.45 62.42 Favored 'General case' 0 C--O 1.222 -0.384 0 O-C-N 120.824 -1.173 . . . . 10.0 112.791 177.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -68.6 0.23 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.954 0.902 . . . . 10.0 111.729 172.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -62.02 -14.72 38.46 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 122.268 1.033 . . . . 10.0 112.654 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.0 t -81.33 -62.23 1.72 Allowed 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 120.214 -1.554 . . . . 10.0 111.017 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -25.47 37.81 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.37 -1.456 . . . . 10.0 112.433 175.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -51.8 -38.25 54.95 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.072 1.349 . . . . 10.0 111.259 169.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -10.1 4.76 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 118.266 -0.873 . . . . 10.0 112.956 176.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.63 18.59 77.3 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 127.066 2.269 . . . . 10.0 112.223 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -76.16 173.86 10.81 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 122.437 1.113 . . . . 10.0 111.341 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.54 130.77 23.62 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.107 -1.197 . . . . 10.0 110.107 173.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -39.56 -59.02 1.18 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.703 1.601 . . . . 10.0 112.884 174.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.93 -58.03 6.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.484 1.914 . . . . 10.0 111.67 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -52.98 -47.87 67.87 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.871 -0.518 . . . . 10.0 110.188 176.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -37.33 76.8 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-O 118.311 -0.852 . . . . 10.0 111.772 176.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -68.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 126.249 1.82 . . . . 10.0 110.194 175.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -33.53 17.24 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.826 0.85 . . . . 10.0 112.684 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.79 -56.64 4.56 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-O 118.51 -0.757 . . . . 10.0 111.769 176.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.7 m -49.04 -28.37 3.99 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.49 1.516 . . . . 10.0 113.248 172.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -61.93 -61.54 2.42 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.084 1.753 . . . . 10.0 110.179 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -71.54 -26.47 62.66 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.123 -0.944 . . . . 10.0 111.438 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -55.14 -72.5 0.07 Allowed 'General case' 0 C--O 1.235 0.332 0 C-N-CA 125.514 1.525 . . . . 10.0 111.1 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.407 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 3.2 t . . . . . 0 N--CA 1.44 -0.959 0 N-CA-C 107.522 -1.288 . . . . 10.0 107.522 177.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.272 0 N-CA-C 112.779 0.659 . . . . 10.0 112.779 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -33.17 12.91 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.922 0.868 . . . . 10.0 112.52 175.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -87.4 -39.89 14.88 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 124.86 1.264 . . . . 10.0 111.063 176.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -33.06 62.37 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.006 1.323 . . . . 10.0 110.954 177.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -71.25 -43.11 67.9 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 118.573 -0.727 . . . . 10.0 111.03 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.46 -44.28 87.72 Favored 'General case' 0 C--O 1.198 -1.608 0 CA-C-O 118.475 -0.774 . . . . 10.0 109.956 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -61.5 -52.8 62.99 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 125.506 1.522 . . . . 10.0 111.781 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.49 -50.79 71.3 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 122.577 1.18 . . . . 10.0 111.157 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.2 m -66.69 -43.89 83.21 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.998 1.319 . . . . 10.0 111.452 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 t -58.05 -47.65 82.48 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 107.798 -1.186 . . . . 10.0 107.798 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -53.37 -36.18 61.11 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 119.901 1.228 . . . . 10.0 112.519 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -69.61 0.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.21 -0.9 . . . . 10.0 112.254 172.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -58.71 -18.29 30.07 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 122.286 1.041 . . . . 10.0 112.382 174.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.7 t -79.14 -63.02 1.51 Allowed 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 119.419 -2.05 . . . . 10.0 110.545 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -23.87 33.06 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 120.352 -1.467 . . . . 10.0 112.115 175.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.4 -36.79 45.15 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.139 1.376 . . . . 10.0 111.482 169.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -10.88 4.96 Favored 'General case' 0 C--N 1.344 0.353 0 N-CA-C 112.989 0.737 . . . . 10.0 112.989 175.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.85 16.87 76.27 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 126.282 1.896 . . . . 10.0 111.519 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -78.27 175.64 10.02 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.709 1.242 . . . . 10.0 111.716 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.97 148.56 38.16 Favored Glycine 0 CA--C 1.521 0.464 0 CA-C-N 115.233 -0.894 . . . . 10.0 112.003 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -55.37 -57.24 12.67 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 124.917 1.287 . . . . 10.0 112.087 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.03 -57.15 8.21 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 125.774 1.63 . . . . 10.0 111.567 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -53.99 -49.24 69.27 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 122.741 0.416 . . . . 10.0 110.381 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -35.28 73.33 Favored 'General case' 0 C--O 1.204 -1.298 0 CA-C-O 118.552 -0.737 . . . . 10.0 112.045 176.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.85 -66.16 0.6 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 126.405 1.882 . . . . 10.0 111.318 177.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.34 -27.97 4.47 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.996 1.318 . . . . 10.0 112.188 176.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.65 -59.57 2.47 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 116.659 -1.639 . . . . 10.0 112.25 174.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 46.0 m -46.18 -28.66 1.3 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 126.48 1.912 . . . . 10.0 112.744 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -61.16 -64.57 0.91 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.003 1.321 . . . . 10.0 109.486 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -19.55 62.55 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 120.772 -1.205 . . . . 10.0 112.928 177.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -55.97 -72.81 0.07 Allowed 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 126.687 1.995 . . . . 10.0 109.112 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.441 -0.902 0 O-C-N 124.418 1.074 . . . . 10.0 108.858 -177.842 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.485 0 CA-C-O 119.202 -0.428 . . . . 10.0 110.099 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -26.54 22.22 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 122.256 1.027 . . . . 10.0 112.137 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -86.28 -45.92 10.81 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 124.568 1.147 . . . . 10.0 112.491 174.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -30.63 65.36 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 118.365 0.529 . . . . 10.0 111.379 176.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -77.81 -34.71 51.98 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 118.115 -0.945 . . . . 10.0 111.794 174.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -72.0 -42.41 66.45 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-O 118.198 -0.906 . . . . 10.0 110.305 175.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -62.5 -52.02 65.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 120.091 1.314 . . . . 10.0 111.634 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -61.93 -50.84 70.56 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.061 0.934 . . . . 10.0 110.568 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.3 m -65.43 -46.0 81.65 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.41 -0.814 . . . . 10.0 110.837 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 48.8 t -56.32 -46.66 79.77 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 108.244 -1.021 . . . . 10.0 108.244 174.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -53.17 -38.29 62.66 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 119.186 0.903 . . . . 10.0 112.015 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -56.92 -69.27 0.16 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 117.927 -1.035 . . . . 10.0 112.114 174.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.27 -17.14 26.07 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 122.913 1.339 . . . . 10.0 112.777 174.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.8 t -78.13 -67.8 0.7 Allowed 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 119.642 -1.911 . . . . 10.0 110.601 176.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -23.55 18.82 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.048 -1.033 . . . . 10.0 111.205 176.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -52.33 -36.03 52.31 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.073 1.349 . . . . 10.0 111.737 170.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -12.06 5.92 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 113.376 0.88 . . . . 10.0 113.376 174.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.78 18.57 67.63 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.903 1.715 . . . . 10.0 110.661 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -77.75 177.65 7.98 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 122.891 1.329 . . . . 10.0 111.958 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.2 149.78 36.22 Favored Glycine 0 C--N 1.331 0.292 0 CA-C-N 115.309 -0.859 . . . . 10.0 112.065 173.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -54.27 -57.7 10.2 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 124.619 1.168 . . . . 10.0 111.038 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.99 -57.94 7.31 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 124.991 1.316 . . . . 10.0 111.244 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -53.68 -47.6 70.27 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 119.454 -0.308 . . . . 10.0 110.565 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.72 -36.54 74.44 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 118.469 -0.777 . . . . 10.0 112.431 175.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -68.75 0.35 Allowed 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 125.909 1.684 . . . . 10.0 110.826 176.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.2 mtt -47.99 -29.64 3.62 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.487 1.04 . . . . 10.0 112.469 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -64.37 1.18 Allowed 'General case' 0 C--O 1.214 -0.789 0 CA-C-O 115.468 -2.206 . . . . 10.0 112.264 174.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.42 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 65.4 m -47.26 -29.4 2.41 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.621 1.568 . . . . 10.0 112.654 174.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -61.15 -62.25 1.98 Allowed 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 125.187 1.395 . . . . 10.0 110.694 174.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -70.58 -25.14 62.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.614 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -54.44 -73.5 0.05 OUTLIER 'General case' 0 C--O 1.233 0.203 0 C-N-CA 125.663 1.585 . . . . 10.0 109.565 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.444 -0.735 0 N-CA-C 108.019 -1.104 . . . . 10.0 108.019 179.044 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 119.639 -0.22 . . . . 10.0 110.528 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -53.04 -29.22 28.54 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.221 1.408 . . . . 10.0 113.328 175.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -79.93 -50.9 9.78 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 125.334 1.454 . . . . 10.0 113.075 170.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -57.86 -31.7 66.95 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.382 0.673 . . . . 10.0 111.944 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -73.0 -41.03 64.71 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 124.383 1.073 . . . . 10.0 112.766 170.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 t -65.32 -44.83 86.6 Favored 'General case' 0 C--O 1.206 -1.184 0 CA-C-N 118.67 0.668 . . . . 10.0 110.684 174.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -60.53 -54.41 45.84 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.766 1.226 . . . . 10.0 112.688 177.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -61.06 -51.56 68.67 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 122.084 0.945 . . . . 10.0 110.892 -179.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -66.5 -41.6 88.63 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.676 1.19 . . . . 10.0 112.495 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.5 t -60.26 -43.83 95.81 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.882 -0.784 . . . . 10.0 108.882 170.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -56.73 -31.27 64.38 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.102 -1.624 . . . . 10.0 114.129 175.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -60.97 -69.17 0.25 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.592 1.157 . . . . 10.0 111.483 170.343 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -60.39 -16.6 37.21 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 122.403 1.097 . . . . 10.0 113.346 175.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.8 t -79.81 -60.14 2.46 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 119.535 -1.978 . . . . 10.0 112.674 174.071 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -23.95 65.54 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.958 -1.089 . . . . 10.0 111.868 175.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -50.61 -40.15 52.02 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.666 1.986 . . . . 10.0 112.166 166.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -8.34 1.22 Allowed 'General case' 0 C--N 1.346 0.414 0 N-CA-C 114.589 1.329 . . . . 10.0 114.589 173.424 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.46 17.6 75.57 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 127.466 2.46 . . . . 10.0 112.711 -179.601 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -76.94 172.01 13.85 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 122.888 1.328 . . . . 10.0 112.425 177.301 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.62 148.37 40.12 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 115.114 -0.948 . . . . 10.0 111.832 174.138 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.91 -56.11 18.32 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.279 1.431 . . . . 10.0 112.469 178.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -53.69 -54.73 33.83 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.128 2.171 . . . . 10.0 112.242 178.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -54.07 -49.68 68.48 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 122.535 0.334 . . . . 10.0 110.538 174.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.56 -35.31 75.74 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 113.453 0.909 . . . . 10.0 113.453 175.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.28 -68.37 0.36 Allowed 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 125.731 1.613 . . . . 10.0 109.973 174.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -27.93 6.83 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.609 1.564 . . . . 10.0 112.758 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -79.91 -57.73 3.5 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 117.784 -1.103 . . . . 10.0 113.624 173.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.8 m -52.41 -29.41 24.15 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.816 2.046 . . . . 10.0 114.836 171.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -59.68 -66.08 0.57 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 128.442 2.697 . . . . 10.0 109.903 171.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 m -68.72 -25.76 64.92 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 118.086 -0.959 . . . . 10.0 112.201 178.326 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -56.22 -74.71 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.872 1.669 . . . . 10.0 110.029 176.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.444 -0.759 0 CA-C-N 114.899 -1.046 . . . . 10.0 108.314 -178.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 121.562 0.696 . . . . 10.0 112.012 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -48.7 -31.5 6.94 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.446 1.276 . . . . 10.0 114.446 175.662 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -88.45 -43.02 11.76 Favored 'General case' 0 C--O 1.212 -0.908 0 C-N-CA 126.78 2.032 . . . . 10.0 110.654 173.171 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -56.54 -33.5 66.15 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 120.674 1.579 . . . . 10.0 111.066 177.242 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.26 -38.81 63.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 123.236 0.614 . . . . 10.0 112.232 174.007 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.7 -43.84 83.32 Favored 'General case' 0 C--O 1.205 -1.25 0 O-C-N 123.992 0.808 . . . . 10.0 111.164 174.337 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -62.1 -52.55 63.43 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.321 0.648 . . . . 10.0 111.989 178.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.57 -52.0 66.23 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.251 1.024 . . . . 10.0 110.215 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.5 m -64.64 -45.29 87.44 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.931 0.892 . . . . 10.0 111.925 -179.5 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.4 t -56.99 -48.16 79.11 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 108.194 -1.039 . . . . 10.0 108.194 173.036 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -52.46 -33.18 43.22 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.745 -1.222 . . . . 10.0 113.658 176.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -60.82 -68.81 0.27 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.646 1.216 . . . . 10.0 111.77 173.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -19.48 44.45 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 123.205 1.479 . . . . 10.0 113.278 174.604 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.0 t -77.49 -61.94 1.82 Allowed 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 119.621 -1.925 . . . . 10.0 112.552 175.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -21.27 61.27 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.308 -0.86 . . . . 10.0 112.188 176.527 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -53.7 -38.37 64.18 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.926 1.291 . . . . 10.0 111.97 168.357 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -7.9 2.51 Favored 'General case' 0 C--O 1.243 0.737 0 N-CA-C 114.18 1.178 . . . . 10.0 114.18 174.364 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.5 20.65 76.53 Favored Glycine 0 C--N 1.344 0.983 0 C-N-CA 126.128 1.823 . . . . 10.0 110.947 179.2 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -76.56 175.09 9.6 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 123.603 1.668 . . . . 10.0 111.307 177.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.62 131.37 18.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.077 -1.015 . . . . 10.0 110.717 173.437 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.37 -58.03 1.63 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.246 1.818 . . . . 10.0 112.901 176.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.74 -59.43 3.82 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 126.874 2.07 . . . . 10.0 111.198 176.503 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -52.8 -46.2 67.56 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 122.638 0.375 . . . . 10.0 110.605 177.531 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -36.21 76.63 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-O 118.045 -0.979 . . . . 10.0 113.154 175.158 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -68.3 0.38 Allowed 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.591 1.156 . . . . 10.0 110.541 174.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.4 ttp -47.01 -29.78 2.28 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.408 1.483 . . . . 10.0 111.799 179.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.89 -60.74 2.23 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-O 117.015 -1.469 . . . . 10.0 112.453 174.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.1 m -47.45 -27.58 1.78 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.737 1.615 . . . . 10.0 113.72 173.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -62.06 -63.17 1.33 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 126.244 1.818 . . . . 10.0 111.002 172.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -72.55 -21.76 61.11 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.232 -0.917 . . . . 10.0 111.604 177.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -56.01 -70.6 0.11 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.96 1.704 . . . . 10.0 109.991 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 123.303 1.525 . . . . 10.0 112.653 179.486 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.618 0 CA-C-O 119.27 -0.395 . . . . 10.0 110.941 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.44 -29.2 3.84 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.221 1.008 . . . . 10.0 111.708 176.497 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -86.44 -44.19 12.2 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 124.081 0.953 . . . . 10.0 111.175 175.519 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -56.96 -27.33 61.12 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 118.919 0.781 . . . . 10.0 111.579 175.709 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.97 -33.1 30.38 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 109.929 -0.397 . . . . 10.0 109.929 177.151 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.35 -42.92 61.67 Favored 'General case' 0 C--O 1.195 -1.78 0 CA-C-O 117.948 -1.025 . . . . 10.0 109.108 176.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -62.86 -51.75 65.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 120.593 1.542 . . . . 10.0 110.998 178.524 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -61.53 -51.97 66.39 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 122.293 1.044 . . . . 10.0 109.823 -179.784 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.4 m -64.1 -46.29 84.9 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.621 -178.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.9 t -56.41 -45.83 80.47 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 107.936 -1.135 . . . . 10.0 107.936 176.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.487 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.7 t-80 -53.56 -40.67 65.77 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-O 118.102 -0.951 . . . . 10.0 110.243 177.683 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -54.1 -69.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 119.258 0.936 . . . . 10.0 111.312 176.086 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -16.32 22.3 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 122.848 1.309 . . . . 10.0 112.074 176.087 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.8 t -78.7 -68.39 0.65 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.719 -1.863 . . . . 10.0 109.308 178.23 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.43 -26.2 4.77 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.317 1.447 . . . . 10.0 110.168 177.891 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.62 -36.68 46.87 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 124.04 0.936 . . . . 10.0 112.093 172.083 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -14.16 9.78 Favored 'General case' 0 N--CA 1.444 -0.728 0 O-C-N 121.108 -0.995 . . . . 10.0 112.152 174.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.85 19.45 72.96 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 125.843 1.687 . . . . 10.0 109.782 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -75.82 -179.58 4.89 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 122.363 1.078 . . . . 10.0 111.674 177.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.37 130.28 9.96 Favored Glycine 0 C--O 1.223 -0.554 0 N-CA-C 110.656 -0.978 . . . . 10.0 110.656 176.089 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -39.47 -60.01 1.01 Allowed 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 124.93 1.292 . . . . 10.0 112.213 178.067 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.99 -58.7 4.09 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 124.988 1.43 . . . . 10.0 110.702 179.102 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -53.55 -47.58 69.9 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 122.813 0.445 . . . . 10.0 110.646 178.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.487 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -57.49 -36.68 71.83 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-O 118.907 -0.568 . . . . 10.0 110.933 175.819 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -66.6 0.53 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.031 1.332 . . . . 10.0 110.742 177.283 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 mtt -50.64 -36.5 35.69 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.419 0.628 . . . . 10.0 111.353 179.324 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -70.09 -63.94 0.99 Allowed 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 115.971 -1.966 . . . . 10.0 110.448 177.69 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.3 m -45.75 -27.13 0.76 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.949 1.406 . . . . 10.0 111.301 175.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -60.7 -61.31 2.68 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 122.147 0.975 . . . . 10.0 111.093 174.404 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -73.08 -21.94 60.68 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.782 -0.644 . . . . 10.0 111.413 177.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -53.09 -73.96 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.271 1.028 . . . . 10.0 108.929 177.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.44 -0.928 0 N-CA-C 106.942 -1.503 . . . . 10.0 106.942 -176.087 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.848 0 CA-C-O 118.174 -0.917 . . . . 10.0 112.737 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.49 -28.53 13.67 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.725 2.01 . . . . 10.0 115.586 172.353 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -88.84 -45.33 9.83 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 125.258 1.423 . . . . 10.0 110.779 170.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.31 -35.2 69.55 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.602 1.561 . . . . 10.0 112.615 178.425 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.68 -44.18 78.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.328 1.018 . . . . 10.0 111.507 171.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -46.46 76.62 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 125.1 1.5 . . . . 10.0 108.216 -178.539 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -59.11 -54.91 41.7 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 114.243 1.201 . . . . 10.0 114.243 174.218 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.81 -52.21 66.68 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 122.26 1.029 . . . . 10.0 111.731 178.179 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.8 m -67.0 -43.68 82.3 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.967 1.707 . . . . 10.0 113.701 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.7 t -58.98 -42.42 89.96 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 167.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -58.09 -35.33 71.27 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 119.849 -1.782 . . . . 10.0 115.347 172.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -59.08 -65.61 0.64 Allowed 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 116.953 -1.499 . . . . 10.0 112.003 168.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.93 -27.56 65.41 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 122.853 1.311 . . . . 10.0 114.432 176.047 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.6 t -75.37 -55.69 5.45 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 119.736 -1.852 . . . . 10.0 112.806 179.306 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -24.2 64.68 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.07 -1.423 . . . . 10.0 113.141 174.2 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -53.9 -41.62 67.81 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 127.304 2.242 . . . . 10.0 111.755 168.219 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -7.71 1.92 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.418 1.266 . . . . 10.0 114.418 173.905 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.65 16.44 61.81 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 127.847 2.641 . . . . 10.0 113.237 178.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.402 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 5.3 m-20 -72.66 173.61 8.76 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-O 122.668 1.223 . . . . 10.0 111.784 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.97 125.69 9.16 Favored Glycine 0 CA--C 1.539 1.58 0 O-C-N 120.76 -1.212 . . . . 10.0 110.613 174.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -38.28 -62.66 0.56 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 126.267 1.827 . . . . 10.0 113.46 177.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -51.41 -55.06 20.7 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 126.738 2.015 . . . . 10.0 114.115 175.115 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -54.67 -45.4 73.87 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.815 0.846 . . . . 10.0 111.861 176.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 21' ' ' ASN . 0.7 OUTLIER -59.84 -41.36 91.22 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 124.46 1.104 . . . . 10.0 112.166 173.647 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.2 -61.94 2.26 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.185 0.994 . . . . 10.0 110.758 174.356 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.62 -28.24 8.41 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.74 1.616 . . . . 10.0 113.706 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -82.29 -56.49 3.88 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 116.926 -1.511 . . . . 10.0 113.037 172.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 99.6 m -46.82 -27.99 1.41 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 129.168 2.987 . . . . 10.0 115.893 171.033 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.72 -65.67 0.65 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.431 2.692 . . . . 10.0 111.361 169.337 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -73.14 -13.9 61.27 Favored 'General case' 0 CA--C 1.562 1.436 0 N-CA-C 113.81 1.041 . . . . 10.0 113.81 174.043 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.94 -67.79 0.39 Allowed 'General case' 0 N--CA 1.474 0.725 0 O-C-N 120.09 -1.631 . . . . 10.0 111.132 177.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--O 1.252 1.204 0 C-N-CA 125.359 1.464 . . . . 10.0 113.636 178.784 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -49.55 -29.44 6.92 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 122.665 1.221 . . . . 10.0 112.0 178.085 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -83.57 -48.21 10.48 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 125.176 1.39 . . . . 10.0 111.121 177.442 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -30.37 62.25 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 117.941 0.337 . . . . 10.0 110.631 177.667 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -77.92 -36.58 49.29 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.758 -1.115 . . . . 10.0 111.43 177.21 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -44.1 73.73 Favored 'General case' 0 C--O 1.201 -1.488 0 O-C-N 124.585 1.178 . . . . 10.0 110.986 174.202 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -61.92 -52.46 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 119.378 0.99 . . . . 10.0 112.224 177.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.29 -51.87 67.71 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 122.135 0.969 . . . . 10.0 110.022 179.604 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -66.21 -46.47 77.12 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.255 -0.884 . . . . 10.0 111.05 -178.06 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.3 t -54.89 -44.8 74.43 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 173.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.433 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.5 t-80 -55.9 -39.96 72.33 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 121.027 -1.046 . . . . 10.0 112.509 175.889 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -56.81 -68.93 0.18 Allowed 'General case' 0 C--O 1.212 -0.921 0 CA-C-O 116.148 -1.882 . . . . 10.0 110.422 173.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.45 -27.12 55.87 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 123.061 1.41 . . . . 10.0 113.468 176.789 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.32 -70.45 0.32 Allowed 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 120.176 -1.578 . . . . 10.0 109.361 178.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -24.65 63.06 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 121.568 -0.708 . . . . 10.0 111.354 177.588 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.87 -37.76 74.5 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.363 1.465 . . . . 10.0 110.881 173.354 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -62.36 -10.1 10.23 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 112.631 0.604 . . . . 10.0 112.631 174.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.4 21.56 29.19 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 126.041 1.781 . . . . 10.0 110.969 177.415 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.428 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -78.34 177.59 8.33 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 123.678 1.704 . . . . 10.0 110.03 -178.202 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.7 128.99 8.78 Favored Glycine 0 C--O 1.223 -0.578 0 O-C-N 120.579 -1.326 . . . . 10.0 110.069 176.121 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -39.09 -62.39 0.65 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.661 1.184 . . . . 10.0 112.051 177.019 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.42 -58.99 5.18 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.201 1.0 . . . . 10.0 111.199 -178.816 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -52.9 -40.35 63.47 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.934 -0.576 . . . . 10.0 112.109 177.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -60.92 -38.89 87.34 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 124.465 1.106 . . . . 10.0 110.864 176.412 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.26 -65.56 0.67 Allowed 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 117.47 -1.252 . . . . 10.0 110.811 173.357 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.52 -25.65 2.86 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.514 1.149 . . . . 10.0 112.875 -179.481 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -83.16 -63.7 1.31 Allowed 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 116.675 -1.631 . . . . 10.0 112.372 175.166 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 61.0 m -46.47 -28.7 1.47 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.995 1.718 . . . . 10.0 112.462 174.265 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.2 -64.24 1.02 Allowed 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 125.645 1.578 . . . . 10.0 109.521 173.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -69.46 -25.49 64.11 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 123.568 0.542 . . . . 10.0 112.199 178.491 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -55.14 -73.17 0.06 Allowed 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.63 1.172 . . . . 10.0 109.597 177.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.445 -0.688 0 N-CA-C 107.827 -1.175 . . . . 10.0 107.827 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.509 -0.618 0 N-CA-C 107.34 -1.356 . . . . 10.0 107.34 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 170.96 -28.5 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 125.934 1.694 . . . . 10.0 109.994 176.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.67 81.62 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 123.391 0.676 . . . . 10.0 111.945 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -46.61 -33.0 3.83 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.804 1.039 . . . . 10.0 113.804 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -87.08 -44.82 11.26 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 125.578 1.551 . . . . 10.0 109.804 174.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -54.79 -28.74 51.27 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.905 1.684 . . . . 10.0 111.622 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.5 -40.08 51.2 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 123.026 0.53 . . . . 10.0 110.845 174.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.0 -43.42 78.91 Favored 'General case' 0 C--O 1.196 -1.73 0 O-C-N 121.235 -0.916 . . . . 10.0 109.73 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -61.74 -52.53 63.86 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 120.839 1.654 . . . . 10.0 112.294 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -61.23 -53.23 59.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.813 1.292 . . . . 10.0 110.447 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -64.53 -44.13 91.81 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 124.087 0.955 . . . . 10.0 110.914 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -55.85 -46.47 78.19 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 108.288 -1.004 . . . . 10.0 108.288 173.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -54.6 -39.46 67.9 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 119.79 1.177 . . . . 10.0 112.368 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -61.11 2.64 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 123.519 0.728 . . . . 10.0 111.87 173.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -66.61 -10.01 41.35 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.791 1.282 . . . . 10.0 112.168 173.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.2 t -83.55 -62.57 1.55 Allowed 'General case' 0 N--CA 1.437 -1.097 0 O-C-N 118.903 -2.373 . . . . 10.0 108.551 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -26.63 9.36 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 124.273 1.029 . . . . 10.0 111.695 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.02 -37.34 44.61 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.693 1.197 . . . . 10.0 112.455 170.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -12.96 4.93 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.289 -0.882 . . . . 10.0 112.828 174.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.05 7.77 87.41 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 127.188 2.328 . . . . 10.0 111.767 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -69.91 177.73 3.0 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 123.111 1.434 . . . . 10.0 111.769 174.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.66 156.98 35.52 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.87 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.38 -56.68 18.99 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 123.764 0.826 . . . . 10.0 111.543 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.09 -58.14 6.87 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.903 1.281 . . . . 10.0 111.22 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -56.24 -38.35 70.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 121.535 -0.728 . . . . 10.0 110.681 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -61.67 -37.65 84.86 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 117.634 -1.174 . . . . 10.0 111.618 174.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -65.53 0.67 Allowed 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 125.903 1.681 . . . . 10.0 111.125 175.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -25.1 6.43 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.624 0.77 . . . . 10.0 112.601 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.87 -63.87 1.26 Allowed 'General case' 0 C--O 1.205 -1.274 0 CA-C-O 115.557 -2.163 . . . . 10.0 112.296 174.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.9 m -44.7 -29.02 0.69 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.576 1.95 . . . . 10.0 112.673 173.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -61.27 -63.24 1.35 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.11 1.364 . . . . 10.0 110.812 173.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -72.68 -17.94 61.59 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 118.25 -0.881 . . . . 10.0 111.625 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -58.06 -69.46 0.18 Allowed 'General case' 0 C--O 1.233 0.225 0 C-N-CA 125.587 1.555 . . . . 10.0 109.647 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 96.6 m -81.02 58.04 3.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.75 0.786 . . . . 10.0 109.579 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.69 147.4 0.49 Allowed 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 124.189 1.947 . . . . 10.0 110.077 -177.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.14 -178.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 O-C-N 118.934 -2.354 . . . . 10.0 109.555 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.46 -153.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.37 1.068 . . . . 10.0 109.96 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -136.72 120.56 17.46 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.662 1.185 . . . . 10.0 109.401 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.5 t -149.12 87.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 105.655 -1.98 . . . . 10.0 105.655 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -47.88 149.06 1.41 Allowed 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.328 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.79 167.16 0.59 Allowed 'General case' 0 C--O 1.238 0.463 0 CA-C-O 122.346 1.07 . . . . 10.0 111.025 -178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -105.9 86.99 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.753 -1.573 . . . . 10.0 106.753 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.87 154.55 0.7 Allowed 'General case' 0 C--O 1.234 0.247 0 O-C-N 124.167 0.917 . . . . 10.0 110.288 174.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.13 178.83 9.76 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.815 -0.63 . . . . 10.0 109.349 -178.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 172.9 162.79 0.12 Allowed 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.109 1.364 . . . . 10.0 110.243 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -151.35 174.31 13.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.318 -0.855 . . . . 10.0 109.551 -174.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.63 77.04 46.98 Favored Pre-proline 0 C--O 1.232 0.178 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.901 177.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -66.23 137.03 46.2 Favored 'Trans proline' 0 N--CA 1.449 -1.116 0 C-N-CA 121.67 1.58 . . . . 10.0 108.052 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.98 164.33 0.11 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.114 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 p30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 114.682 -2.58 . . . . 10.0 113.562 175.587 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 . . . . . 0 CA--C 1.508 -0.655 0 N-CA-C 106.651 -1.611 . . . . 10.0 106.651 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.28 -26.29 1.93 Allowed 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.815 -1.178 . . . . 10.0 112.52 176.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.78 -48.73 66.65 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.765 1.226 . . . . 10.0 114.287 172.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -46.81 -33.33 4.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.29 1.036 . . . . 10.0 112.369 174.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -92.4 -39.69 11.3 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 126.35 1.86 . . . . 10.0 110.451 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -53.19 -33.65 53.59 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 125.199 1.4 . . . . 10.0 110.449 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.8 -43.54 65.48 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 123.116 0.566 . . . . 10.0 111.073 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -44.01 91.89 Favored 'General case' 0 C--O 1.198 -1.614 0 CA-C-O 118.431 -0.795 . . . . 10.0 110.53 176.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -61.43 -52.45 64.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 120.444 1.474 . . . . 10.0 112.316 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -61.55 -53.54 55.04 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.995 0.918 . . . . 10.0 110.081 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.3 m -63.98 -43.81 94.59 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.965 1.306 . . . . 10.0 111.033 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.0 -48.22 78.99 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 107.978 -1.119 . . . . 10.0 107.978 173.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -52.97 -37.62 61.38 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 119.613 1.097 . . . . 10.0 112.763 177.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -56.19 -64.34 0.89 Allowed 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 124.282 1.033 . . . . 10.0 111.691 173.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -66.21 -8.71 26.09 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 122.434 1.111 . . . . 10.0 112.736 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.6 t -85.59 -60.0 2.15 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 119.623 -1.923 . . . . 10.0 109.598 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -25.12 10.87 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.658 1.183 . . . . 10.0 112.188 173.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.98 -36.51 49.89 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.63 1.172 . . . . 10.0 111.984 170.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -11.45 4.6 Favored 'General case' 0 C--N 1.342 0.258 0 O-C-N 120.997 -1.064 . . . . 10.0 113.355 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.37 7.72 87.98 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 127.262 2.363 . . . . 10.0 111.764 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -72.48 177.05 4.87 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 123.737 1.732 . . . . 10.0 111.717 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.46 149.81 23.98 Favored Glycine 0 C--N 1.333 0.373 0 CA-C-N 114.893 -1.049 . . . . 10.0 111.389 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -51.88 -43.64 63.38 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 117.943 -1.027 . . . . 10.0 112.276 177.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.31 -60.33 3.99 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.724 1.61 . . . . 10.0 110.627 -176.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -56.21 -39.48 72.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 121.868 -0.52 . . . . 10.0 110.404 175.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -33.68 76.02 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-O 117.822 -1.085 . . . . 10.0 111.775 175.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.07 -63.11 1.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 125.001 1.32 . . . . 10.0 109.666 177.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.8 ttm -55.76 -21.65 20.1 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.226 0.61 . . . . 10.0 112.488 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -86.76 -62.94 1.39 Allowed 'General case' 0 C--O 1.209 -1.029 0 CA-C-O 115.77 -2.062 . . . . 10.0 111.62 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.9 m -45.44 -29.73 1.19 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 127.707 2.403 . . . . 10.0 112.545 173.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -59.03 -66.18 0.55 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.441 1.096 . . . . 10.0 109.638 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -72.49 -14.8 61.75 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.256 -0.903 . . . . 10.0 112.731 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -60.34 -71.88 0.12 Allowed 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 126.039 1.736 . . . . 10.0 108.718 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.2 m -70.57 -21.58 62.68 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.692 -0.485 . . . . 10.0 109.692 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.8 t -105.22 71.34 0.93 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.601 1.16 . . . . 10.0 110.993 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -71.98 -178.08 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 122.269 1.033 . . . . 10.0 108.922 -178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.7 123.67 20.2 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 120.98 -1.075 . . . . 10.0 109.936 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.28 138.42 58.24 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 124.507 1.13 . . . . 10.0 109.421 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.9 t -136.2 68.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 105.895 -1.891 . . . . 10.0 105.895 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -46.05 139.13 4.65 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.599 173.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.18 162.05 1.13 Allowed 'General case' 0 C--O 1.242 0.689 0 O-C-N 124.336 1.023 . . . . 10.0 111.29 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -81.44 87.26 6.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.125 -1.065 . . . . 10.0 108.125 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.98 157.9 0.37 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 124.034 0.834 . . . . 10.0 110.756 174.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -117.12 163.24 16.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.613 1.197 . . . . 10.0 110.216 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -131.79 168.08 18.43 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.463 -1.244 . . . . 10.0 110.104 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -130.08 162.54 28.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 114.792 -1.095 . . . . 10.0 110.63 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.04 81.01 6.38 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.874 176.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -66.61 138.47 49.76 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.057 1.838 . . . . 10.0 109.327 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.77 -66.91 0.31 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 117.353 -1.308 . . . . 10.0 111.595 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 . . . . . 0 C--O 1.246 0.898 0 O-C-N 126.405 2.316 . . . . 10.0 109.735 174.403 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.51 -0.594 0 N-CA-C 107.09 -1.448 . . . . 10.0 107.09 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.72 -28.11 67.06 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 120.626 -0.429 . . . . 10.0 111.68 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.11 -48.77 75.54 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -32.1 2.37 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.959 0.885 . . . . 10.0 113.087 175.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -89.76 -42.57 11.22 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 125.199 1.4 . . . . 10.0 109.526 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -30.32 65.52 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.423 1.011 . . . . 10.0 110.959 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -75.8 -38.3 58.36 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 123.346 0.658 . . . . 10.0 112.081 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -44.27 76.66 Favored 'General case' 0 C--O 1.205 -1.278 0 C-N-CA 120.143 -0.623 . . . . 10.0 111.204 175.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -60.85 -52.09 66.53 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 123.758 0.823 . . . . 10.0 112.441 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -60.97 -53.47 56.86 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 122.275 1.036 . . . . 10.0 110.351 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.0 m -64.58 -45.12 88.39 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 124.353 1.061 . . . . 10.0 110.704 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.6 t -55.63 -48.08 75.54 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 108.618 -0.882 . . . . 10.0 108.618 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.422 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 4.4 t-80 -51.35 -40.3 58.84 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 121.662 -0.649 . . . . 10.0 112.748 176.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -66.97 0.29 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 118.664 -0.684 . . . . 10.0 111.829 173.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -64.33 -9.82 20.27 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.246 1.022 . . . . 10.0 112.317 175.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.9 t -83.95 -61.76 1.74 Allowed 'General case' 0 C--O 1.218 -0.57 0 O-C-N 120.6 -1.313 . . . . 10.0 110.039 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.02 -24.66 3.94 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.633 1.173 . . . . 10.0 111.975 174.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.03 -32.57 34.86 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.531 1.132 . . . . 10.0 110.978 171.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -10.09 6.52 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 121.102 -0.999 . . . . 10.0 112.519 176.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.8 8.44 87.48 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 125.912 1.72 . . . . 10.0 111.631 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -76.19 178.79 6.14 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 123.376 1.56 . . . . 10.0 111.039 175.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.49 154.63 33.07 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 114.588 -1.187 . . . . 10.0 111.737 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 24' ' ' THR . 48.4 p90 -54.8 -52.61 62.11 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 114.642 -0.779 . . . . 10.0 111.02 176.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.429 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -54.2 -58.83 5.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 122.237 1.018 . . . . 10.0 111.814 -175.226 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -51.77 -47.01 64.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.193 -0.912 . . . . 10.0 110.951 177.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.15 -34.39 77.51 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-O 118.456 -0.783 . . . . 10.0 112.13 175.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -59.1 5.84 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 125.376 1.47 . . . . 10.0 108.818 177.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 ttt -60.77 -14.62 22.55 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.584 0.707 . . . . 10.0 112.253 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.49 -62.96 1.29 Allowed 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 118.267 -0.873 . . . . 10.0 112.406 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.8 m -45.06 -29.81 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 126.512 1.925 . . . . 10.0 111.806 171.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -58.45 -63.27 1.34 Allowed 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.838 173.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -70.49 -22.07 62.7 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.757 0.423 . . . . 10.0 111.636 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.76 -72.97 0.07 Allowed 'General case' 0 C--O 1.236 0.373 0 O-C-N 120.619 -1.301 . . . . 10.0 110.43 176.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.1 t -86.95 45.12 1.23 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.5 0.667 . . . . 10.0 110.322 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -170.22 109.04 0.37 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 122.174 0.988 . . . . 10.0 111.413 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.1 -175.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 122.55 1.167 . . . . 10.0 109.103 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 pttt -154.56 -162.19 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.395 -0.816 . . . . 10.0 109.464 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -155.1 148.07 24.62 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.3 t -155.16 80.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 106.275 -1.75 . . . . 10.0 106.275 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -50.06 144.91 6.31 Favored 'General case' 0 C--O 1.224 -0.288 0 O-C-N 122.007 -0.433 . . . . 10.0 110.406 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -124.72 36.31 4.63 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 123.651 1.691 . . . . 10.0 109.961 -176.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -140.33 76.48 1.56 Allowed 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.179 -1.415 . . . . 10.0 107.179 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 pp -46.29 154.48 0.27 Allowed 'General case' 0 C--O 1.233 0.209 0 O-C-N 124.128 0.893 . . . . 10.0 110.349 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.12 124.12 21.49 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.999 -0.741 . . . . 10.0 108.999 -177.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -153.17 159.16 42.64 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.316 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -176.53 115.74 0.11 Allowed 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -124.25 161.74 45.81 Favored Pre-proline 0 N--CA 1.462 0.145 0 CA-C-O 118.969 -0.538 . . . . 10.0 111.358 174.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -70.16 -168.78 0.31 Allowed 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 122.968 2.445 . . . . 10.0 111.29 176.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.42 145.69 31.44 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 123.84 0.856 . . . . 10.0 110.247 176.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 . . . . . 0 C--O 1.248 1.023 0 O-C-N 124.562 1.164 . . . . 10.0 108.947 179.159 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 107.929 -1.137 . . . . 10.0 107.929 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -140.12 112.13 7.58 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 124.154 0.982 . . . . 10.0 108.42 -173.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 170.85 -93.53 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.715 1.206 . . . . 10.0 110.75 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -53.77 -27.66 30.24 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 125.029 1.332 . . . . 10.0 112.178 177.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -83.32 -47.7 11.2 Favored 'General case' 0 C--O 1.215 -0.732 0 C-N-CA 125.366 1.466 . . . . 10.0 112.556 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -57.81 -29.65 65.07 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 123.239 0.616 . . . . 10.0 111.721 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -39.05 47.41 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 124.508 1.123 . . . . 10.0 110.681 175.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -41.21 73.33 Favored 'General case' 0 C--O 1.197 -1.709 0 CA-C-N 119.851 1.205 . . . . 10.0 109.15 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -62.54 -52.45 63.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 121.73 2.059 . . . . 10.0 112.052 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -62.1 -51.45 67.87 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 122.492 1.139 . . . . 10.0 110.231 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.7 m -66.65 -41.63 87.92 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.227 1.011 . . . . 10.0 111.862 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -58.65 -45.15 89.94 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 172.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.424 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 3.2 t-80 -56.52 -36.83 69.66 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 121.025 1.738 . . . . 10.0 113.155 176.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -60.14 4.16 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 117.698 -1.144 . . . . 10.0 112.458 172.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -69.39 -8.02 42.84 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 122.759 1.266 . . . . 10.0 112.784 173.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.0 t -85.43 -60.84 1.91 Allowed 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 119.009 -2.307 . . . . 10.0 108.96 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -24.92 31.19 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 118.03 -0.986 . . . . 10.0 112.213 175.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -50.26 -38.99 43.65 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.317 1.447 . . . . 10.0 112.73 168.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -11.45 3.15 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 113.682 0.993 . . . . 10.0 113.682 173.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.0 7.37 88.66 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 127.437 2.446 . . . . 10.0 111.742 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -69.32 176.19 3.5 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 123.469 1.604 . . . . 10.0 112.275 173.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.96 158.39 36.55 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 114.855 -1.066 . . . . 10.0 112.296 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -61.66 -54.46 42.47 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 125.465 1.506 . . . . 10.0 112.897 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.51 -56.03 18.0 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.083 1.753 . . . . 10.0 111.443 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -57.13 -41.36 78.93 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.722 -0.611 . . . . 10.0 110.805 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.424 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -61.82 -34.02 75.19 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 117.608 -1.187 . . . . 10.0 112.596 174.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -66.49 0.54 Allowed 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 126.002 1.721 . . . . 10.0 109.896 176.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -27.07 7.97 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.462 1.028 . . . . 10.0 112.618 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -80.62 -64.17 1.25 Allowed 'General case' 0 C--O 1.209 -1.062 0 CA-C-O 115.828 -2.034 . . . . 10.0 111.469 174.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 67.3 m -47.51 -29.55 2.86 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.533 1.933 . . . . 10.0 113.864 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -59.31 -64.22 1.02 Allowed 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 126.951 2.101 . . . . 10.0 110.603 172.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -71.81 -18.75 62.07 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.012 -0.995 . . . . 10.0 112.031 176.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -60.77 -71.41 0.14 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 118.409 -2.682 . . . . 10.0 109.162 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 68.8 m -84.8 47.56 1.41 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.893 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.7 p -93.81 90.26 6.47 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 123.434 1.588 . . . . 10.0 111.216 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.433 ' CG1' ' H ' ' A' ' 37' ' ' LYS . 1.5 t -72.35 -175.51 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 122.51 1.148 . . . . 10.0 109.911 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.433 ' H ' ' CG1' ' A' ' 36' ' ' VAL . 0.6 OUTLIER -68.85 86.01 0.33 Allowed 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.556 -1.34 . . . . 10.0 110.671 175.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.38 135.06 34.04 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.12 0.968 . . . . 10.0 109.983 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.9 t -154.95 83.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 106.191 -1.781 . . . . 10.0 106.191 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.75 121.24 2.29 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.593 0.757 . . . . 10.0 111.415 173.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -74.73 175.85 7.56 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 122.326 1.06 . . . . 10.0 111.004 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.23 80.47 8.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.732 -0.84 . . . . 10.0 108.732 175.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.73 140.57 2.44 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.178 0.591 . . . . 10.0 110.618 175.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -132.35 158.77 41.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.471 -0.786 . . . . 10.0 108.901 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 177.67 -175.57 0.16 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.34 1.456 . . . . 10.0 109.67 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -151.6 -172.11 4.12 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.702 1.201 . . . . 10.0 109.972 -177.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.0 85.38 5.11 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.219 1.407 . . . . 10.0 110.408 175.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -65.82 143.9 75.34 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 121.7 1.6 . . . . 10.0 109.276 176.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.58 131.15 14.28 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.096 0.559 . . . . 10.0 110.279 173.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t30 . . . . . 0 C--O 1.254 1.342 0 O-C-N 125.642 1.839 . . . . 10.0 111.424 174.832 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 116.034 -1.936 . . . . 10.0 106.002 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 68.46 -53.29 0.55 Allowed 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.455 1.025 . . . . 10.0 113.169 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.92 -45.11 50.67 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 126.138 1.775 . . . . 10.0 113.067 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -47.31 -34.74 7.07 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.704 1.372 . . . . 10.0 114.704 171.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -87.43 -43.11 12.32 Favored 'General case' 0 C--O 1.212 -0.881 0 C-N-CA 127.053 2.141 . . . . 10.0 109.698 173.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -57.17 -31.75 65.71 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 121.095 1.77 . . . . 10.0 112.412 177.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.26 -39.17 63.19 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.335 1.054 . . . . 10.0 111.779 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -43.81 77.75 Favored 'General case' 0 C--O 1.199 -1.567 0 CA-C-N 119.499 1.045 . . . . 10.0 110.436 175.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -61.41 -52.85 62.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 120.865 1.666 . . . . 10.0 112.134 177.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -60.01 -52.8 63.83 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 122.613 1.197 . . . . 10.0 110.791 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.3 m -66.29 -44.91 82.2 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.53 1.132 . . . . 10.0 110.886 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.2 t -56.65 -45.03 81.85 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 173.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -55.39 -36.69 66.67 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 123.921 0.888 . . . . 10.0 113.214 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -65.76 0.52 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.944 0.793 . . . . 10.0 112.695 171.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -64.92 -10.43 28.89 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 122.596 1.189 . . . . 10.0 113.081 173.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.1 t -83.9 -60.12 2.21 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 119.492 -2.005 . . . . 10.0 111.605 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.11 -24.27 17.08 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 117.207 -1.377 . . . . 10.0 112.489 173.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -50.9 -37.63 44.95 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.522 1.529 . . . . 10.0 112.238 167.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -11.04 3.06 Favored 'General case' 0 C--N 1.342 0.247 0 O-C-N 120.827 -1.171 . . . . 10.0 113.994 173.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.79 15.43 79.32 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 126.974 2.226 . . . . 10.0 111.339 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -77.37 174.94 10.24 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 123.0 1.381 . . . . 10.0 112.151 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.55 145.51 30.41 Favored Glycine 0 C--N 1.329 0.18 0 CA-C-N 115.32 -0.855 . . . . 10.0 111.569 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -46.39 -52.38 13.07 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 124.902 1.281 . . . . 10.0 110.429 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -57.44 12.39 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.02 1.328 . . . . 10.0 111.991 -175.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -55.57 -50.5 69.91 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.795 -0.566 . . . . 10.0 110.355 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.6 -32.61 69.15 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-O 117.354 -1.307 . . . . 10.0 113.273 174.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -66.49 0.54 Allowed 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 128.166 2.586 . . . . 10.0 108.839 176.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.5 mtp -54.01 -29.86 45.19 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.475 0.58 . . . . 10.0 112.547 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -76.42 -59.78 2.62 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 116.868 -1.539 . . . . 10.0 112.333 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.4 m -47.1 -28.89 1.92 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 126.632 1.973 . . . . 10.0 113.41 170.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -59.6 -63.21 1.38 Allowed 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 125.114 1.365 . . . . 10.0 110.937 172.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -71.25 -21.99 62.04 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.172 0.589 . . . . 10.0 111.856 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -56.2 -71.23 0.09 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 119.676 -1.89 . . . . 10.0 111.287 174.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -85.62 45.36 1.19 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 122.238 1.018 . . . . 10.0 110.779 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 t -166.42 97.19 0.58 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.28 1.432 . . . . 10.0 111.308 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.24 -178.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 119.721 -1.862 . . . . 10.0 108.994 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -167.15 145.51 4.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 124.506 1.122 . . . . 10.0 108.848 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -111.71 150.96 29.48 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 124.658 1.183 . . . . 10.0 110.05 175.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -149.69 80.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 106.468 -1.679 . . . . 10.0 106.468 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -50.86 132.87 26.97 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.059 0.544 . . . . 10.0 110.605 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.53 158.15 17.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.648 0.737 . . . . 10.0 109.344 -177.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -79.18 79.38 5.6 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.718 -1.215 . . . . 10.0 107.718 174.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.29 159.06 0.06 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.921 1.288 . . . . 10.0 109.838 174.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -161.53 154.03 20.16 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.577 -0.897 . . . . 10.0 108.577 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 177.12 138.15 0.07 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 124.56 1.144 . . . . 10.0 109.066 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -175.49 159.59 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -133.16 162.71 55.99 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-O 119.146 -0.454 . . . . 10.0 112.049 173.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -71.1 -174.78 1.26 Allowed 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 122.779 2.32 . . . . 10.0 110.466 176.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.26 140.74 18.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.178 -1.416 . . . . 10.0 107.178 176.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 C--O 1.257 1.492 0 O-C-N 124.813 1.321 . . . . 10.0 112.547 172.741 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.502 -0.868 0 N-CA-C 107.52 -1.289 . . . . 10.0 107.52 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 73.35 -53.23 0.7 Allowed 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 125.516 1.526 . . . . 10.0 110.076 175.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.13 -48.47 44.63 Favored 'General case' 0 C--O 1.218 -0.574 0 C-N-CA 124.788 1.235 . . . . 10.0 111.882 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -44.93 -33.1 1.86 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.466 0.913 . . . . 10.0 113.466 174.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -89.46 -42.37 11.52 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 125.561 1.544 . . . . 10.0 110.589 174.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -56.76 -29.9 63.06 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 120.189 1.359 . . . . 10.0 111.59 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -78.37 -34.74 48.07 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 123.931 0.892 . . . . 10.0 111.17 174.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.54 -43.19 66.86 Favored 'General case' 0 C--O 1.197 -1.677 0 CA-C-O 118.2 -0.905 . . . . 10.0 110.045 175.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -62.49 -51.65 66.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 120.314 1.416 . . . . 10.0 111.526 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -61.3 -52.39 64.9 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 122.407 1.099 . . . . 10.0 110.211 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.4 m -64.69 -44.96 88.63 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.235 -0.893 . . . . 10.0 110.819 -178.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.1 t -56.61 -46.16 81.07 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.786 -0.82 . . . . 10.0 108.786 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -53.31 -40.42 64.77 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 118.304 -0.855 . . . . 10.0 111.298 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -66.48 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 118.939 0.79 . . . . 10.0 111.725 174.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.76 -13.19 30.09 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-O 123.205 1.479 . . . . 10.0 112.404 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.3 t -81.05 -64.78 1.11 Allowed 'General case' 0 N--CA 1.439 -1.015 0 O-C-N 119.376 -2.077 . . . . 10.0 110.223 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -24.78 5.18 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 125.078 1.351 . . . . 10.0 111.23 175.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.47 -36.76 45.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.236 1.014 . . . . 10.0 111.736 170.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -12.71 4.3 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.257 -0.902 . . . . 10.0 112.966 175.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.52 15.57 77.81 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 125.67 1.605 . . . . 10.0 110.123 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -78.9 178.91 7.61 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 122.584 1.183 . . . . 10.0 111.478 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.92 150.3 35.72 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.382 -0.826 . . . . 10.0 111.887 174.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -57.14 -56.06 26.65 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 117.824 -1.084 . . . . 10.0 110.533 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.23 -59.29 3.8 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 124.445 1.098 . . . . 10.0 111.192 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -54.11 -49.46 69.07 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.749 -0.594 . . . . 10.0 110.126 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -33.71 70.46 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 118.185 -0.912 . . . . 10.0 111.399 176.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -65.57 0.66 Allowed 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 126.211 1.804 . . . . 10.0 109.797 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -30.28 40.13 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.35 0.595 . . . . 10.0 111.963 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -62.17 1.67 Allowed 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 116.158 -1.877 . . . . 10.0 111.794 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 52.7 m -46.49 -28.51 1.42 Allowed 'General case' 0 CA--C 1.535 0.394 0 O-C-N 125.335 1.647 . . . . 10.0 111.349 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.86 -62.0 2.2 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 123.94 0.896 . . . . 10.0 110.741 174.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -70.93 -25.0 62.56 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 118.506 -0.759 . . . . 10.0 111.81 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.49 -73.02 0.05 Allowed 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.962 1.305 . . . . 10.0 110.111 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 t -83.37 58.84 4.72 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.93 125.41 12.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.882 1.325 . . . . 10.0 109.586 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -77.56 -175.61 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 115.217 -0.901 . . . . 10.0 108.86 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.13 121.88 0.38 Allowed 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -127.5 163.37 24.28 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 124.053 0.846 . . . . 10.0 109.047 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.4 t -146.03 72.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.263 -1.384 . . . . 10.0 107.263 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -45.28 125.59 5.62 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 121.975 -0.453 . . . . 10.0 110.538 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.95 162.48 21.49 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.922 0.868 . . . . 10.0 109.65 -177.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.45 77.09 8.35 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.08 124.13 3.72 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.608 0.763 . . . . 10.0 109.883 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -171.6 142.91 1.66 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -172.82 146.3 1.57 Allowed 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 177.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -177.66 114.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.2 155.48 40.12 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.342 175.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -72.11 -173.76 1.18 Allowed 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 122.596 2.197 . . . . 10.0 111.821 177.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -106.93 -58.68 1.91 Allowed 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 117.355 -1.307 . . . . 10.0 110.005 176.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 . . . . . 0 C--O 1.243 0.737 0 O-C-N 125.31 1.631 . . . . 10.0 110.485 179.631 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 . . . . . 0 CA--C 1.501 -0.93 0 N-CA-C 108.208 -1.034 . . . . 10.0 108.208 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 72.99 -56.45 0.66 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.254 0.479 . . . . 10.0 111.636 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.7 82.13 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.859 1.663 . . . . 10.0 111.57 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -30.87 4.98 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 176.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.422 ' CE2' ' O ' ' A' ' 34' ' ' CYS . 20.5 t80 -86.2 -45.07 11.66 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.332 1.053 . . . . 10.0 112.996 173.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -55.37 -28.86 56.64 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 118.957 0.799 . . . . 10.0 111.577 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -78.5 -36.93 44.3 Favored 'General case' 0 C--O 1.21 -0.985 0 C-N-CA 123.665 0.786 . . . . 10.0 110.546 174.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -70.0 -42.78 72.58 Favored 'General case' 0 C--O 1.199 -1.561 0 CA-C-N 119.83 1.195 . . . . 10.0 110.144 176.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -62.91 -52.05 64.55 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 120.884 1.674 . . . . 10.0 111.394 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -61.47 -52.14 65.76 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 122.322 1.058 . . . . 10.0 110.036 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.4 m -64.85 -45.03 87.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.632 0.773 . . . . 10.0 110.901 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 42.2 t -57.29 -45.36 84.2 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.441 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.7 t-80 -54.4 -39.25 67.07 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 117.856 -1.068 . . . . 10.0 110.802 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -55.22 -69.76 0.12 Allowed 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 118.05 -0.976 . . . . 10.0 111.818 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.91 -17.13 35.02 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 123.033 1.396 . . . . 10.0 112.56 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.2 t -77.28 -70.56 0.46 Allowed 'General case' 0 N--CA 1.435 -1.22 0 O-C-N 120.025 -1.672 . . . . 10.0 109.701 176.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -24.25 9.31 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 125.051 1.34 . . . . 10.0 110.942 177.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -51.7 -36.31 46.17 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.655 1.182 . . . . 10.0 111.286 171.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -13.52 5.17 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 120.836 -1.165 . . . . 10.0 112.965 175.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.81 17.71 65.08 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 126.469 1.985 . . . . 10.0 110.167 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -78.53 179.01 7.33 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 122.627 1.203 . . . . 10.0 111.745 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.5 151.04 37.46 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.85 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -57.41 -57.54 12.22 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 117.253 -1.356 . . . . 10.0 111.118 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.99 -59.11 3.89 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 125.309 1.631 . . . . 10.0 110.593 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -54.05 -47.11 71.95 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 122.847 0.459 . . . . 10.0 110.463 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.441 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -59.27 -36.82 76.22 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-O 118.243 -0.884 . . . . 10.0 111.669 175.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.4 -67.52 0.45 Allowed 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 126.298 1.839 . . . . 10.0 110.843 177.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mmt -47.45 -28.81 2.31 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 124.487 1.115 . . . . 10.0 112.385 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -66.58 0.86 Allowed 'General case' 0 CA--C 1.498 -1.037 0 CA-C-O 115.788 -2.053 . . . . 10.0 111.596 174.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 59.0 m -45.07 -27.63 0.6 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.155 1.382 . . . . 10.0 112.119 176.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -60.46 -62.52 1.8 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.778 1.631 . . . . 10.0 110.352 174.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -73.5 -25.3 60.37 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.457 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.06 -71.06 0.08 Allowed 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.749 1.22 . . . . 10.0 109.933 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.422 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 1.8 t -93.04 95.54 9.52 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.1 p -174.96 120.05 0.2 Allowed 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 123.296 1.522 . . . . 10.0 110.003 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -76.3 -173.65 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 O-C-N 120.573 -1.329 . . . . 10.0 109.188 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.69 144.89 44.16 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 120.863 -1.148 . . . . 10.0 109.826 177.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.86 161.03 4.14 Favored 'General case' 0 C--O 1.242 0.667 0 O-C-N 124.54 1.15 . . . . 10.0 109.944 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.4 p -108.56 48.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 121.649 -0.657 . . . . 10.0 111.687 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 mttt 173.34 -88.45 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 124.372 1.069 . . . . 10.0 110.016 -177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -157.85 150.37 22.57 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 123.851 0.72 . . . . 10.0 109.588 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -83.98 63.79 7.78 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 108.987 -0.745 . . . . 10.0 108.987 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.51 155.03 0.16 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.422 0.63 . . . . 10.0 110.405 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.37 85.39 2.12 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.42 -1.326 . . . . 10.0 107.42 -176.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -51.3 169.48 0.05 Allowed 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 123.165 1.46 . . . . 10.0 111.004 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.418 ' CD2' ' HD3' ' A' ' 48' ' ' PRO . 14.3 p90 -140.46 149.06 42.07 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 120.955 -1.091 . . . . 10.0 109.639 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -129.48 84.65 61.2 Favored Pre-proline 0 C--O 1.234 0.259 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.418 ' HD3' ' CD2' ' A' ' 46' ' ' TYR . 17.8 Cg_endo -71.7 143.42 41.84 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.987 1.792 . . . . 10.0 109.446 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.5 -77.63 0.02 OUTLIER 'General case' 0 C--O 1.234 0.276 0 CA-C-O 117.88 -1.057 . . . . 10.0 111.211 178.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 . . . . . 0 C--O 1.255 1.37 0 O-C-N 125.355 1.659 . . . . 10.0 111.492 175.004 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 107.354 -1.35 . . . . 10.0 107.354 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 68.08 -64.79 0.28 Allowed 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 125.183 1.393 . . . . 10.0 111.114 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.69 -48.12 69.82 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 125.558 1.543 . . . . 10.0 112.419 175.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -48.08 -31.74 5.91 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.432 0.901 . . . . 10.0 113.432 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -87.71 -43.06 12.2 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 125.577 1.551 . . . . 10.0 110.686 174.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -35.44 54.66 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 120.656 1.571 . . . . 10.0 110.148 176.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.58 -38.56 62.62 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 117.731 -1.128 . . . . 10.0 110.229 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.86 -43.04 76.22 Favored 'General case' 0 C--O 1.195 -1.764 0 CA-C-O 117.608 -1.187 . . . . 10.0 109.805 175.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -62.42 -52.59 62.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 120.847 1.658 . . . . 10.0 111.578 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -61.18 -51.99 66.72 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 122.735 1.255 . . . . 10.0 110.224 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -65.2 -45.11 86.12 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.403 -0.817 . . . . 10.0 111.005 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 35.3 t -56.9 -46.49 81.9 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.688 -1.227 . . . . 10.0 107.688 174.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -54.27 -37.66 64.95 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 119.466 1.03 . . . . 10.0 111.542 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -69.87 0.14 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 117.906 -1.045 . . . . 10.0 112.267 173.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.53 -17.7 23.49 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 122.782 1.277 . . . . 10.0 112.421 175.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.1 t -78.38 -66.8 0.81 Allowed 'General case' 0 N--CA 1.438 -1.06 0 O-C-N 119.676 -1.89 . . . . 10.0 110.246 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -23.65 20.89 Favored 'General case' 0 C--O 1.225 -0.203 0 O-C-N 120.857 -1.152 . . . . 10.0 111.103 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -52.31 -36.48 53.32 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.995 1.318 . . . . 10.0 111.758 170.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -12.06 5.77 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 121.331 -0.856 . . . . 10.0 113.291 174.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.36 18.98 67.58 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 126.538 2.018 . . . . 10.0 110.702 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -78.21 177.38 8.43 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 122.609 1.195 . . . . 10.0 111.824 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.87 147.03 34.52 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.624 174.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -52.28 -58.91 5.18 Favored 'General case' 0 C--O 1.219 -0.502 0 C-N-CA 124.445 1.098 . . . . 10.0 111.189 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.02 -58.14 6.11 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 125.45 1.5 . . . . 10.0 110.781 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.46 -47.83 69.39 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 122.816 0.446 . . . . 10.0 110.591 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.54 -37.11 74.98 Favored 'General case' 0 N--CA 1.433 -1.277 0 O-C-N 123.672 0.608 . . . . 10.0 112.009 176.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.66 -67.07 0.49 Allowed 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 125.986 1.714 . . . . 10.0 111.625 176.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.32 -28.93 3.44 Favored 'General case' 0 N--CA 1.461 0.103 0 C-N-CA 124.621 1.169 . . . . 10.0 111.995 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -80.35 -63.86 1.31 Allowed 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 114.753 -2.546 . . . . 10.0 111.931 174.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 50.6 m -44.74 -29.98 0.87 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.032 1.733 . . . . 10.0 112.55 175.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -57.44 -63.0 1.38 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.903 1.681 . . . . 10.0 110.727 173.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 m -74.25 -27.13 60.62 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.949 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -55.26 -66.15 0.46 Allowed 'General case' 0 C--O 1.233 0.208 0 C-N-CA 126.668 1.987 . . . . 10.0 109.524 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.4 m -81.41 46.87 0.98 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.775 176.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -165.09 57.23 0.12 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 122.991 1.376 . . . . 10.0 110.532 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.39 -177.37 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 O-C-N 120.986 -1.071 . . . . 10.0 108.48 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.41 113.23 0.08 Allowed 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.294 -1.002 . . . . 10.0 108.294 178.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -42.92 123.33 2.72 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 124.371 1.044 . . . . 10.0 110.535 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 t -153.65 81.26 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.398 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 -176.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 167.74 104.35 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.139 0.976 . . . . 10.0 109.903 -177.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -57.02 165.99 1.14 Allowed 'General case' 0 C--O 1.245 0.858 0 CA-C-O 122.36 1.076 . . . . 10.0 111.718 176.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.82 66.59 6.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.09 177.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -40.78 128.86 2.62 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 124.449 1.1 . . . . 10.0 108.922 175.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 178.26 -43.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 122.341 0.257 . . . . 10.0 110.455 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -45.05 149.85 0.44 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 122.71 1.243 . . . . 10.0 111.98 174.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.27 141.56 10.9 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.488 -0.778 . . . . 10.0 109.281 -176.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -86.78 153.92 55.42 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.861 -0.608 . . . . 10.0 111.163 176.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -71.36 162.7 41.54 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 122.359 2.039 . . . . 10.0 111.175 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' NZ ' ' OXT' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -97.78 166.61 11.39 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.4 175.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.406 ' OXT' ' NZ ' ' A' ' 49' ' ' LYS . 80.6 m-20 . . . . . 0 C--O 1.237 0.444 0 C-N-CA 124.436 1.094 . . . . 10.0 112.03 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 122.008 0.909 . . . . 10.0 109.115 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.28 -38.61 5.21 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.38 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.6 -45.27 75.97 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.61 0.967 . . . . 10.0 113.61 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -49.45 -33.24 13.71 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.397 1.094 . . . . 10.0 113.217 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -87.72 -47.25 8.8 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 126.873 2.069 . . . . 10.0 111.144 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -39.61 58.49 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.375 1.443 . . . . 10.0 110.796 175.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -70.71 -42.65 70.32 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 124.89 1.276 . . . . 10.0 111.04 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -44.81 90.43 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-O 118.82 -0.61 . . . . 10.0 110.866 173.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -60.95 -54.5 44.26 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 125.459 1.503 . . . . 10.0 112.477 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.54 -50.42 73.61 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.828 1.251 . . . . 10.0 111.309 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.7 m -69.08 -42.2 76.51 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.29 1.436 . . . . 10.0 112.346 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.4 t -58.95 -44.38 91.42 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 108.728 -0.842 . . . . 10.0 108.728 169.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -56.75 -31.3 64.44 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.075 -1.641 . . . . 10.0 114.304 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.43 -68.88 0.26 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.225 1.81 . . . . 10.0 112.197 170.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -62.13 -14.84 41.07 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 122.733 1.254 . . . . 10.0 113.795 175.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.4 t -81.27 -60.02 2.43 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 119.638 -1.914 . . . . 10.0 112.654 173.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -24.21 63.87 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.831 -1.168 . . . . 10.0 112.251 174.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -50.15 -41.19 48.55 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 126.451 1.9 . . . . 10.0 111.977 166.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -9.03 1.07 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.856 1.428 . . . . 10.0 114.856 173.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.75 17.73 76.78 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 128.088 2.756 . . . . 10.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -77.03 170.41 16.58 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.539 1.162 . . . . 10.0 112.105 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.87 146.07 42.67 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 115.367 -0.833 . . . . 10.0 111.61 173.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -50.2 -57.88 6.8 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.523 1.529 . . . . 10.0 112.218 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 m -52.94 -55.41 23.64 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 127.34 2.256 . . . . 10.0 111.897 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -54.12 -49.36 69.35 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 122.754 0.422 . . . . 10.0 110.538 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -36.71 75.68 Favored 'General case' 0 C--O 1.205 -1.25 0 CA-C-O 117.875 -1.06 . . . . 10.0 113.492 175.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.18 -69.48 0.29 Allowed 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 126.933 2.093 . . . . 10.0 111.338 174.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -30.46 2.26 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.201 1.8 . . . . 10.0 113.209 176.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -62.83 1.54 Allowed 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 117.151 -1.404 . . . . 10.0 111.918 170.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 67.0 m -46.78 -29.05 1.74 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.689 1.996 . . . . 10.0 115.212 175.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -57.89 -65.53 0.62 Allowed 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 128.356 2.662 . . . . 10.0 110.414 169.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -72.19 -26.05 61.91 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 118.19 -0.91 . . . . 10.0 112.94 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -53.54 -69.99 0.1 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 128.268 2.627 . . . . 10.0 110.997 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.3 t -88.62 88.71 7.7 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.816 -1.179 . . . . 10.0 107.816 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -120.64 105.01 10.38 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.062 1.345 . . . . 10.0 109.101 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.439 ' CG1' ' H ' ' A' ' 37' ' ' LYS . 1.5 t -71.49 -175.45 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-O 122.725 1.25 . . . . 10.0 109.977 177.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' H ' ' CG1' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -133.09 -171.33 2.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.064 -1.023 . . . . 10.0 110.622 175.685 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.6 140.59 33.57 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.37 1.468 . . . . 10.0 109.284 175.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -103.09 51.18 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 127.356 2.263 . . . . 10.0 110.004 173.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -50.42 142.81 9.87 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 121.184 -0.948 . . . . 10.0 112.387 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -76.76 -179.95 5.7 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 114.286 -1.324 . . . . 10.0 111.142 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.06 85.6 2.42 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 124.336 1.055 . . . . 10.0 108.167 173.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 pp -48.86 144.39 4.62 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 124.358 1.036 . . . . 10.0 111.362 173.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -90.64 167.02 12.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 122.135 0.969 . . . . 10.0 111.065 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -164.73 149.55 9.55 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -135.68 178.46 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.725 0.774 . . . . 10.0 110.964 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.19 75.05 4.85 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.821 173.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -62.25 154.67 61.63 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 N-CA-C 108.967 -1.205 . . . . 10.0 108.967 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.42 153.74 2.83 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.148 0.979 . . . . 10.0 111.666 173.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.252 23.8 t-20 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 117.049 -1.453 . . . . 10.0 109.232 171.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 117.565 -1.207 . . . . 10.0 107.767 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 69.51 -60.38 0.47 Allowed 'General case' 0 C--O 1.215 -0.763 0 C-N-CA 125.251 1.42 . . . . 10.0 111.047 176.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.41 -48.06 47.44 Favored 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 125.694 1.598 . . . . 10.0 112.34 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.16 -32.09 2.77 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 174.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.437 ' CE2' ' O ' ' A' ' 34' ' ' CYS . 32.4 t80 -88.19 -43.76 11.38 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 125.058 1.343 . . . . 10.0 112.98 173.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -55.82 -29.68 60.17 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 119.186 0.903 . . . . 10.0 111.316 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.54 -37.93 55.87 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 118.019 -0.991 . . . . 10.0 111.067 174.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -43.33 71.88 Favored 'General case' 0 C--O 1.196 -1.717 0 CA-C-N 119.581 1.082 . . . . 10.0 109.901 176.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -61.79 -51.82 66.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 120.813 1.642 . . . . 10.0 111.664 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -61.76 -52.78 62.81 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 122.972 1.368 . . . . 10.0 109.899 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.9 m -64.45 -44.5 90.91 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.902 -1.044 . . . . 10.0 110.951 -178.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.6 t -57.11 -46.89 82.26 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 107.767 -1.197 . . . . 10.0 107.767 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.434 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 4.6 t-80 -52.95 -39.53 62.98 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 119.222 0.919 . . . . 10.0 111.724 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -53.7 -65.74 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 118.04 -0.981 . . . . 10.0 112.358 174.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.62 -12.87 25.79 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 124.478 1.111 . . . . 10.0 112.539 173.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.3 t -83.07 -60.95 1.99 Allowed 'General case' 0 N--CA 1.439 -0.996 0 O-C-N 119.597 -1.939 . . . . 10.0 109.45 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -25.54 5.83 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 125.686 1.594 . . . . 10.0 111.705 174.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.78 -32.89 21.23 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.98 0.912 . . . . 10.0 112.536 170.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -11.87 7.28 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.528 0.731 . . . . 10.0 112.617 174.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.8 7.29 88.21 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 126.775 2.131 . . . . 10.0 111.043 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -73.72 179.04 4.39 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 123.475 1.607 . . . . 10.0 111.79 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.16 155.03 32.38 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 114.882 -1.054 . . . . 10.0 111.73 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.434 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 43.4 p90 -57.38 -48.47 78.97 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 117.303 -1.332 . . . . 10.0 111.054 176.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.415 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -59.3 -55.2 37.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 122.262 1.029 . . . . 10.0 110.13 -174.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -55.36 -47.44 75.76 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 121.571 -0.705 . . . . 10.0 110.353 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.63 -32.88 73.98 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-O 118.336 -0.84 . . . . 10.0 111.635 175.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -59.2 5.76 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 126.227 1.811 . . . . 10.0 108.85 177.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.4 mtt -62.52 -11.74 18.22 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 113.159 0.8 . . . . 10.0 113.159 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.32 -64.15 1.11 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 117.354 -1.308 . . . . 10.0 112.387 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.1 m -44.59 -30.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 127.021 2.128 . . . . 10.0 111.532 171.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -58.98 -62.05 2.17 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 123.642 0.777 . . . . 10.0 110.941 172.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -68.3 -27.39 66.26 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-O 118.24 -0.886 . . . . 10.0 111.614 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -54.72 -75.18 0.03 OUTLIER 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.43 1.092 . . . . 10.0 110.015 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.437 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 6.0 t -91.85 92.44 8.36 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 105.463 -2.051 . . . . 10.0 105.463 -175.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.68 141.76 0.39 Allowed 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 122.696 1.236 . . . . 10.0 109.562 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.405 ' CG1' ' H ' ' A' ' 37' ' ' LYS . 1.6 t -77.46 -175.63 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-O 122.711 1.243 . . . . 10.0 109.066 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' H ' ' CG1' ' A' ' 36' ' ' VAL . 2.7 tttm -149.06 -147.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 120.852 -1.155 . . . . 10.0 109.649 177.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.84 122.32 39.19 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.134 0.974 . . . . 10.0 109.576 177.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.8 p -118.32 61.87 0.2 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-O 121.944 0.878 . . . . 10.0 109.626 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.87 116.77 1.15 Allowed 'General case' 0 N--CA 1.464 0.23 0 O-C-N 121.236 -0.915 . . . . 10.0 110.808 -178.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.19 111.94 9.85 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 106.953 -1.499 . . . . 10.0 106.953 -175.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -48.93 106.7 0.11 Allowed 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 123.62 0.768 . . . . 10.0 109.165 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 mt -159.26 131.03 6.35 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.488 1.515 . . . . 10.0 109.31 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -143.03 173.35 11.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.402 -0.817 . . . . 10.0 110.187 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -53.71 178.88 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 123.531 1.634 . . . . 10.0 112.065 173.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -112.62 -172.12 1.99 Allowed 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.87 -1.059 . . . . 10.0 112.222 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.08 74.72 5.55 Favored Pre-proline 0 C--O 1.237 0.429 0 C-N-CA 123.337 0.655 . . . . 10.0 110.519 175.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -66.5 151.1 83.71 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 121.016 1.144 . . . . 10.0 109.243 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.1 165.26 0.23 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.652 -0.703 . . . . 10.0 109.567 174.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 CA--C 1.57 1.715 0 O-C-N 125.188 1.555 . . . . 10.0 114.133 177.927 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 107.781 -1.192 . . . . 10.0 107.781 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -174.86 117.68 0.18 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 -174.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.17 -95.1 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.861 -0.59 . . . . 10.0 109.824 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -54.59 -24.27 20.51 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 123.812 0.845 . . . . 10.0 111.653 178.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -90.77 -44.51 9.4 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.547 1.139 . . . . 10.0 112.043 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -59.25 -27.77 66.1 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 118.455 0.57 . . . . 10.0 111.246 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.63 -35.35 39.56 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 117.759 -1.115 . . . . 10.0 110.845 175.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.77 -41.63 64.84 Favored 'General case' 0 C--O 1.196 -1.731 0 CA-C-N 119.335 0.971 . . . . 10.0 109.602 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -63.33 -51.16 67.13 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 120.388 1.449 . . . . 10.0 111.05 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -63.09 -50.37 70.81 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 122.333 1.064 . . . . 10.0 110.394 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -65.75 -44.67 85.23 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.393 -0.822 . . . . 10.0 110.889 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 47.7 t -57.48 -46.37 83.77 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 107.778 -1.193 . . . . 10.0 107.778 175.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -53.81 -39.08 65.2 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 117.791 -1.099 . . . . 10.0 111.011 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.65 -70.82 0.1 Allowed 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 117.825 -1.083 . . . . 10.0 111.901 174.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.03 -17.68 27.61 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 123.711 1.72 . . . . 10.0 112.133 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.2 t -77.26 -69.14 0.55 Allowed 'General case' 0 N--CA 1.435 -1.208 0 O-C-N 119.265 -2.147 . . . . 10.0 109.953 177.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -24.66 11.56 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 124.769 1.228 . . . . 10.0 110.879 177.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.88 -38.92 57.98 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.444 1.098 . . . . 10.0 111.369 171.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -12.99 3.94 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 121.102 -0.999 . . . . 10.0 113.05 175.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.95 20.75 67.17 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 125.938 1.732 . . . . 10.0 109.877 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -76.18 178.92 6.04 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.871 1.32 . . . . 10.0 111.642 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.08 132.07 11.83 Favored Glycine 0 C--O 1.223 -0.571 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 175.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.01 -61.49 0.86 Allowed 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 125.281 1.432 . . . . 10.0 113.065 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.81 -56.69 6.87 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 125.215 1.406 . . . . 10.0 110.691 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.8 -45.77 74.39 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 123.031 0.533 . . . . 10.0 110.882 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -58.5 -37.76 76.25 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-O 118.472 -0.775 . . . . 10.0 111.739 175.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.49 -67.75 0.43 Allowed 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 125.339 1.456 . . . . 10.0 111.588 176.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.88 -29.28 1.92 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.342 1.057 . . . . 10.0 112.286 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -64.1 1.26 Allowed 'General case' 0 C--O 1.212 -0.885 0 CA-C-O 115.954 -1.974 . . . . 10.0 112.174 174.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 54.9 m -45.63 -27.9 0.88 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.135 1.374 . . . . 10.0 112.234 175.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -61.64 -61.91 2.19 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.034 1.334 . . . . 10.0 110.921 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.07 -22.01 60.67 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.469 -0.787 . . . . 10.0 111.741 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -54.34 -73.48 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.543 1.537 . . . . 10.0 109.651 178.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.4 m -79.42 85.2 5.24 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 107.685 -1.228 . . . . 10.0 107.685 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.45 132.51 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.259 1.028 . . . . 10.0 108.904 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -76.06 -174.66 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-O 122.321 1.058 . . . . 10.0 109.314 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -138.29 -156.62 0.7 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.253 -0.905 . . . . 10.0 110.477 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -84.25 166.41 17.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 122.01 0.91 . . . . 10.0 111.907 174.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.5 p -118.58 66.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 122.143 0.973 . . . . 10.0 108.651 177.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.16 156.11 0.11 Allowed 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.5 -0.75 . . . . 10.0 110.939 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.82 162.85 0.82 Allowed 'General case' 0 C--O 1.242 0.7 0 CA-C-O 122.156 0.979 . . . . 10.0 111.286 -177.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.24 82.93 3.79 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.589 -1.263 . . . . 10.0 107.589 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -44.55 151.09 0.29 Allowed 'General case' 0 C--O 1.236 0.394 0 O-C-N 124.277 0.986 . . . . 10.0 110.984 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -159.25 172.12 18.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.905 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -164.49 167.59 19.31 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 122.778 1.275 . . . . 10.0 110.405 179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -145.06 169.74 17.53 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.377 -0.829 . . . . 10.0 110.624 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.53 71.54 14.13 Favored Pre-proline 0 C--O 1.232 0.174 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.276 175.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -71.05 133.18 22.68 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 121.893 1.729 . . . . 10.0 109.557 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -51.02 145.6 7.23 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 108.844 -0.799 . . . . 10.0 108.844 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.7 t30 . . . . . 0 CA--C 1.544 0.749 0 O-C-N 125.61 1.819 . . . . 10.0 111.525 176.325 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 . . . . . 0 CA--C 1.488 -1.433 0 CA-C-O 117.05 -1.452 . . . . 10.0 110.075 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.69 108.04 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 O-C-N 126.389 2.305 . . . . 10.0 110.858 175.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.26 -95.52 0.09 Allowed 'General case' 0 CA--C 1.512 -0.499 0 O-C-N 120.55 -1.344 . . . . 10.0 109.976 -176.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.29 -25.42 23.55 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.058 0.762 . . . . 10.0 113.058 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -89.94 -44.68 9.72 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 125.275 1.43 . . . . 10.0 111.188 174.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -29.98 67.89 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 119.027 0.831 . . . . 10.0 111.791 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.68 -37.77 59.26 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 117.872 -1.061 . . . . 10.0 111.161 174.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -43.31 71.04 Favored 'General case' 0 C--O 1.199 -1.589 0 CA-C-N 119.359 0.981 . . . . 10.0 109.899 176.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -61.43 -51.62 67.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 120.586 1.539 . . . . 10.0 111.72 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -62.3 -52.44 63.68 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 122.786 1.279 . . . . 10.0 110.314 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -64.21 -45.21 89.27 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.014 -0.993 . . . . 10.0 110.759 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -56.02 -47.57 77.55 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 124.544 1.138 . . . . 10.0 108.019 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 5.7 t-80 -52.71 -38.94 61.52 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 118.944 0.793 . . . . 10.0 112.06 177.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -54.28 -65.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 118.547 -0.74 . . . . 10.0 112.381 173.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -64.14 -10.56 23.57 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 122.62 1.2 . . . . 10.0 112.408 173.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.5 t -84.06 -60.19 2.18 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 119.247 -2.158 . . . . 10.0 110.069 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -24.89 8.84 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 125.691 1.596 . . . . 10.0 111.956 174.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -51.28 -33.72 29.77 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.636 1.175 . . . . 10.0 112.346 169.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -11.1 5.38 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 121.422 -0.799 . . . . 10.0 113.016 174.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.28 7.69 88.09 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 126.499 1.999 . . . . 10.0 111.385 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -73.59 178.73 4.51 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 123.524 1.63 . . . . 10.0 111.754 175.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.37 154.35 31.35 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 114.663 -1.153 . . . . 10.0 111.707 175.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.423 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 42.3 p90 -55.86 -49.3 73.71 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-O 117.373 -1.299 . . . . 10.0 110.957 176.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -55.07 39.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.383 1.087 . . . . 10.0 110.769 -174.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -55.1 -46.69 75.55 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 121.59 -0.694 . . . . 10.0 110.6 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -33.7 76.05 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-O 117.985 -1.007 . . . . 10.0 112.197 175.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -59.8 4.85 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 125.928 1.691 . . . . 10.0 108.45 176.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.3 mtt -61.93 -10.7 10.21 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.564 0.949 . . . . 10.0 113.564 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.8 -63.17 1.18 Allowed 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 116.551 -1.69 . . . . 10.0 112.453 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.5 m -45.72 -28.96 1.14 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.457 2.303 . . . . 10.0 112.114 171.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -57.75 -61.65 2.37 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-O 122.624 1.202 . . . . 10.0 111.089 172.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -70.22 -27.23 64.31 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 117.669 -1.158 . . . . 10.0 111.247 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -53.45 -73.0 0.05 OUTLIER 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.489 1.116 . . . . 10.0 110.541 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.1 m -82.47 69.19 9.17 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 107.938 -1.134 . . . . 10.0 107.938 -177.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -174.46 143.99 0.86 Allowed 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 122.993 1.377 . . . . 10.0 109.223 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -77.84 -178.41 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 120.799 -1.188 . . . . 10.0 109.452 177.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.23 -155.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.086 0.955 . . . . 10.0 110.603 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.71 165.46 17.84 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.698 0.799 . . . . 10.0 111.09 173.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.7 t -136.93 79.9 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 106.488 -1.671 . . . . 10.0 106.488 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.25 133.88 11.71 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.235 176.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -65.32 167.36 8.56 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 122.074 0.94 . . . . 10.0 110.403 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.38 106.58 16.08 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.166 -1.05 . . . . 10.0 108.166 175.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.9 156.2 0.22 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 124.578 1.174 . . . . 10.0 111.38 177.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -133.1 166.91 21.33 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.544 -0.722 . . . . 10.0 109.845 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -164.03 166.95 20.97 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.745 -0.662 . . . . 10.0 109.638 175.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -111.87 173.32 6.41 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.024 0.916 . . . . 10.0 110.783 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.7 153.68 80.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.418 175.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -70.97 -175.04 1.3 Allowed 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 122.48 2.12 . . . . 10.0 111.181 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -108.49 172.61 6.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 118.076 -0.964 . . . . 10.0 109.918 174.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.243 0.762 0 O-C-N 126.03 2.081 . . . . 10.0 111.158 177.49 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.51 -0.571 0 N-CA-C 107.304 -1.369 . . . . 10.0 107.304 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -95.53 -6.82 39.63 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 123.683 0.614 . . . . 10.0 110.598 173.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.4 -49.19 78.75 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 119.393 0.997 . . . . 10.0 112.995 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -47.02 -32.15 3.76 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.665 0.987 . . . . 10.0 113.665 174.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -90.97 -40.9 11.42 Favored 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 125.34 1.456 . . . . 10.0 109.212 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -35.9 59.97 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.782 1.628 . . . . 10.0 109.374 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.9 -40.86 65.19 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 123.812 0.695 . . . . 10.0 109.978 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.0 -45.29 82.08 Favored 'General case' 0 C--O 1.2 -1.526 0 O-C-N 121.743 -0.598 . . . . 10.0 110.42 176.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -60.58 -53.25 59.76 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 125.002 1.321 . . . . 10.0 112.255 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.36 -54.27 47.67 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 122.759 1.266 . . . . 10.0 110.373 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.4 m -63.28 -45.36 91.8 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 124.339 1.055 . . . . 10.0 110.743 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 46.9 t -55.75 -49.02 74.22 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.168 -1.049 . . . . 10.0 108.168 173.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -51.69 -38.17 53.86 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 119.091 0.86 . . . . 10.0 112.201 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -55.97 -68.39 0.21 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 123.727 0.811 . . . . 10.0 112.127 173.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -61.24 -14.2 24.16 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.499 1.142 . . . . 10.0 112.531 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.7 t -81.28 -66.1 0.93 Allowed 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 120.36 -1.462 . . . . 10.0 110.046 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -25.7 7.84 Favored 'General case' 0 C--O 1.224 -0.253 0 O-C-N 120.547 -1.346 . . . . 10.0 111.958 175.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -51.0 -37.52 45.59 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.999 1.32 . . . . 10.0 110.595 171.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.25 -11.9 4.68 Favored 'General case' 0 C--N 1.343 0.302 0 O-C-N 120.666 -1.271 . . . . 10.0 112.285 176.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.12 16.8 71.08 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 126.842 2.163 . . . . 10.0 111.182 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -79.4 176.91 9.26 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 122.675 1.226 . . . . 10.0 111.476 178.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.19 143.81 27.75 Favored Glycine 0 C--N 1.333 0.402 0 N-CA-C 111.013 -0.835 . . . . 10.0 111.013 174.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.427 ' CG ' ' N ' ' A' ' 24' ' ' THR . 11.5 p90 -48.41 -46.73 37.73 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 124.505 1.122 . . . . 10.0 112.071 175.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.427 ' N ' ' CG ' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -58.1 -62.08 2.08 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 124.918 1.287 . . . . 10.0 111.773 -178.297 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -53.18 -44.51 67.96 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.549 176.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.2 -37.24 79.65 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 118.431 -0.795 . . . . 10.0 111.137 176.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.69 -66.94 0.48 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 126.194 1.798 . . . . 10.0 111.436 176.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.4 ttp -49.61 -27.35 4.45 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.937 0.895 . . . . 10.0 111.707 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.41 -63.19 1.45 Allowed 'General case' 0 C--O 1.21 -0.981 0 CA-C-O 116.384 -1.77 . . . . 10.0 111.394 174.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 44.6 m -44.1 -28.54 0.5 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.508 1.923 . . . . 10.0 111.915 176.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.1 -62.3 1.87 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 122.812 1.291 . . . . 10.0 110.065 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.38 -17.71 60.78 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.44 177.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -56.44 -68.73 0.19 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.09 1.356 . . . . 10.0 110.896 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.5 t -75.2 62.99 1.28 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 122.061 0.934 . . . . 10.0 110.554 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.4 153.42 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 126.748 2.019 . . . . 10.0 110.658 -176.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -80.75 -177.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 119.572 -1.955 . . . . 10.0 109.295 174.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -171.26 -166.63 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 124.385 1.074 . . . . 10.0 109.79 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -108.75 117.35 33.96 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 123.992 0.917 . . . . 10.0 109.275 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 p -120.07 56.85 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 C-N-CA 123.266 0.626 . . . . 10.0 109.536 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -44.67 96.3 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 122.74 0.416 . . . . 10.0 111.014 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.24 34.66 2.48 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 123.748 1.737 . . . . 10.0 108.496 -174.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -106.87 36.65 2.58 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 114.683 -1.144 . . . . 10.0 110.128 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.34 153.37 0.51 Allowed 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 124.122 0.889 . . . . 10.0 110.192 177.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -162.83 126.48 2.91 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -67.03 169.67 7.99 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 122.382 1.087 . . . . 10.0 110.815 175.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -131.1 143.55 50.74 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.253 -0.885 . . . . 10.0 108.886 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.2 -58.87 0.0 OUTLIER Pre-proline 0 N--CA 1.463 0.214 0 C-N-CA 125.666 1.586 . . . . 10.0 111.652 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -74.23 58.27 4.28 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.771 2.981 . . . . 10.0 110.762 176.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -69.15 0.15 Allowed 'General case' 0 C--N 1.343 0.305 0 C-N-CA 123.845 0.858 . . . . 10.0 111.671 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 . . . . . 0 C--O 1.245 0.85 0 CA-C-O 116.79 -1.576 . . . . 10.0 110.461 172.248 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.6 p30 . . . . . 0 N--CA 1.487 1.423 0 N-CA-C 110.044 -0.354 . . . . 10.0 110.044 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -19.3 59.97 Favored 'General case' 0 C--O 1.208 -1.131 0 O-C-N 121.82 -0.55 . . . . 10.0 110.546 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.63 -49.93 61.27 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 117.542 -1.218 . . . . 10.0 113.579 173.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -47.71 -32.66 6.03 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 114.004 1.112 . . . . 10.0 114.004 173.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -87.39 -43.31 12.2 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 125.446 1.498 . . . . 10.0 113.073 171.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -56.88 -30.1 63.58 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 120.762 1.619 . . . . 10.0 111.542 176.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -78.77 -38.42 38.65 Favored 'General case' 0 C--O 1.21 -0.979 0 C-N-CA 123.791 0.836 . . . . 10.0 110.316 174.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.25 -41.36 77.04 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-O 117.242 -1.361 . . . . 10.0 110.646 175.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -63.45 -52.01 63.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 121.29 1.859 . . . . 10.0 111.399 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.48 -51.38 68.92 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 122.081 0.943 . . . . 10.0 110.161 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.7 m -65.77 -44.6 85.37 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.739 0.816 . . . . 10.0 111.511 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 42.0 t -57.35 -46.87 82.88 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.405 -0.961 . . . . 10.0 108.405 174.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.445 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.6 t-80 -54.23 -37.45 64.63 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 117.548 -1.215 . . . . 10.0 111.823 176.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -56.15 -70.06 0.13 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 117.529 -1.224 . . . . 10.0 112.273 172.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.87 -17.63 25.75 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 123.738 1.732 . . . . 10.0 113.13 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.2 t -77.49 -67.06 0.76 Allowed 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 119.225 -2.172 . . . . 10.0 110.905 176.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -22.8 32.7 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-O 117.094 -1.432 . . . . 10.0 111.503 177.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -50.91 -41.26 58.42 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.952 1.301 . . . . 10.0 111.882 167.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -12.84 1.32 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 114.494 1.294 . . . . 10.0 114.494 174.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.03 20.43 67.69 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 127.024 2.25 . . . . 10.0 109.24 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -75.13 177.76 6.2 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 123.383 1.563 . . . . 10.0 112.239 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.04 131.65 12.63 Favored Glycine 0 C--O 1.224 -0.521 0 O-C-N 120.946 -1.096 . . . . 10.0 110.617 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.75 -56.95 2.04 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 126.103 1.761 . . . . 10.0 112.806 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.3 -58.04 7.26 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 125.913 1.685 . . . . 10.0 111.394 177.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -54.09 -45.2 71.75 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 123.12 0.568 . . . . 10.0 110.908 177.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.445 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -58.43 -38.48 77.55 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 118.125 -0.941 . . . . 10.0 112.842 174.39 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.45 -66.77 0.51 Allowed 'General case' 0 C--O 1.213 -0.856 0 CA-C-O 116.469 -1.729 . . . . 10.0 111.702 174.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -29.08 4.03 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.277 1.399 . . . . 10.0 113.055 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.18 -63.1 1.5 Allowed 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 113.69 -3.052 . . . . 10.0 113.051 172.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 66.3 m -46.9 -27.54 1.29 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.129 1.771 . . . . 10.0 113.174 173.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -61.06 -62.41 1.87 Allowed 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.465 1.506 . . . . 10.0 111.306 172.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -72.29 -24.05 61.28 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.013 -0.994 . . . . 10.0 112.161 177.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -55.65 -72.52 0.07 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.385 1.474 . . . . 10.0 109.578 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 t -85.31 46.43 1.29 Allowed 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.135 176.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.5 t -73.84 72.3 1.55 Allowed 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 123.35 1.548 . . . . 10.0 110.3 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.423 ' CG1' ' H ' ' A' ' 37' ' ' LYS . 1.5 t -76.45 -175.7 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-O 122.812 1.292 . . . . 10.0 108.207 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.423 ' H ' ' CG1' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -162.28 100.26 1.07 Allowed 'General case' 0 C--N 1.32 -0.675 0 O-C-N 120.861 -1.149 . . . . 10.0 110.118 179.57 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -157.9 121.64 4.07 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 107.606 -1.257 . . . . 10.0 107.606 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.6 p -127.19 37.43 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-O 121.588 0.709 . . . . 10.0 110.842 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -43.35 125.11 3.69 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.921 0.867 . . . . 10.0 110.711 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 121.02 14.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 106.418 -1.697 . . . . 10.0 106.418 -175.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 60.24 0.2 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.886 0.874 . . . . 10.0 112.245 174.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.42 138.5 1.18 Allowed 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.58 1.552 . . . . 10.0 107.802 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -170.73 63.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 O-C-N 124.442 1.089 . . . . 10.0 110.475 174.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.3 143.35 0.51 Allowed 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 120.237 -1.539 . . . . 10.0 109.564 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -173.68 107.35 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -163.46 81.74 1.49 Allowed Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -70.78 162.46 42.5 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.941 1.761 . . . . 10.0 109.672 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.37 134.14 15.3 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.81 0.844 . . . . 10.0 110.66 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 . . . . . 0 C--O 1.252 1.232 0 CA-C-O 114.546 -2.645 . . . . 10.0 110.501 -174.394 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 119.936 -0.078 . . . . 10.0 110.87 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 66.07 -76.29 0.05 OUTLIER 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 123.601 0.76 . . . . 10.0 112.294 -177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.12 -47.34 34.63 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 125.155 1.382 . . . . 10.0 112.345 176.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -47.35 -33.0 5.35 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.819 1.044 . . . . 10.0 113.819 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -88.42 -42.55 12.09 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 126.3 1.84 . . . . 10.0 110.497 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -29.91 61.23 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.924 1.693 . . . . 10.0 111.654 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.12 -36.14 48.27 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 123.7 0.8 . . . . 10.0 111.063 174.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -70.33 -43.29 70.57 Favored 'General case' 0 C--O 1.196 -1.716 0 CA-C-N 119.298 0.954 . . . . 10.0 110.014 175.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -62.18 -51.9 65.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 120.943 1.701 . . . . 10.0 111.577 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.12 -52.6 64.21 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 122.071 0.939 . . . . 10.0 110.052 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.4 m -64.93 -45.6 85.15 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.536 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.5 t -56.91 -45.27 82.77 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 124.414 1.086 . . . . 10.0 108.105 175.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -53.68 -39.74 65.39 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 123.859 0.863 . . . . 10.0 111.852 174.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -64.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 119.152 0.887 . . . . 10.0 112.538 174.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -63.9 -11.83 31.43 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 122.554 1.169 . . . . 10.0 112.264 173.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.4 t -82.78 -62.21 1.66 Allowed 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 119.347 -2.095 . . . . 10.0 110.183 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.19 -25.04 8.16 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 125.152 1.381 . . . . 10.0 111.52 175.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -50.73 -36.36 36.04 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.022 0.929 . . . . 10.0 112.61 169.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -12.59 4.61 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.02 -1.05 . . . . 10.0 113.339 174.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.65 15.46 77.84 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 126.643 2.068 . . . . 10.0 110.437 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -78.12 177.97 7.92 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.625 1.202 . . . . 10.0 111.712 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.52 146.59 27.47 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.456 -0.793 . . . . 10.0 111.521 174.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.426 ' CG ' ' N ' ' A' ' 24' ' ' THR . 11.5 p90 -49.53 -47.9 48.6 Favored 'General case' 0 C--O 1.207 -1.145 0 CA-C-O 117.666 -1.159 . . . . 10.0 110.687 176.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.426 ' N ' ' CG ' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -59.13 -59.61 5.18 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.141 0.977 . . . . 10.0 110.843 -176.185 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -54.62 -48.78 71.81 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.915 -0.491 . . . . 10.0 110.203 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.38 -34.17 72.09 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-O 117.964 -1.017 . . . . 10.0 111.489 175.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -66.33 0.56 Allowed 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 126.815 2.046 . . . . 10.0 109.55 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mtp -53.8 -29.95 42.78 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.031 0.443 . . . . 10.0 111.965 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -62.95 1.42 Allowed 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 116.684 -1.627 . . . . 10.0 111.352 177.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 64.0 m -45.34 -28.47 0.85 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.226 1.81 . . . . 10.0 111.325 173.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -59.65 -61.58 2.52 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.514 1.126 . . . . 10.0 111.339 173.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -72.42 -22.73 61.06 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.688 177.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -53.98 -73.11 0.05 Allowed 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.758 1.223 . . . . 10.0 109.473 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.9 t -81.99 51.26 1.71 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.615 0.721 . . . . 10.0 109.533 -176.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.82 51.92 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 126.523 1.929 . . . . 10.0 109.691 -175.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.417 ' CG2' ' H ' ' A' ' 37' ' ' LYS . 1.3 p -58.24 -171.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 123.625 1.679 . . . . 10.0 110.142 175.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' H ' ' CG2' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -173.43 -35.6 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 O-C-N 120.383 -1.448 . . . . 10.0 111.125 174.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -161.15 154.6 21.73 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.761 1.288 . . . . 10.0 109.583 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.0 t -148.46 78.16 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 107.155 -1.424 . . . . 10.0 107.155 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.62 135.02 11.91 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.39 144.21 37.13 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 121.414 0.626 . . . . 10.0 110.319 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 78.01 1.15 Allowed 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.7 150.97 2.56 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 123.824 0.849 . . . . 10.0 108.757 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -135.08 158.13 45.15 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.859 0.838 . . . . 10.0 109.835 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -148.05 127.44 13.1 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -166.05 175.36 8.56 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.219 0.533 . . . . 10.0 110.176 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.2 81.33 10.37 Favored Pre-proline 0 CA--C 1.531 0.246 0 C-N-CA 123.868 0.867 . . . . 10.0 110.358 174.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -69.94 159.22 54.07 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 121.822 1.681 . . . . 10.0 110.225 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -52.14 152.1 3.44 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.284 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 C--O 1.254 1.319 0 CA-C-O 116.702 -1.618 . . . . 10.0 111.802 174.802 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.76 -55.15 1.72 Allowed 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 125.029 1.332 . . . . 10.0 109.762 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.15 -40.82 71.05 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 113.961 1.097 . . . . 10.0 113.961 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -48.84 -34.42 12.47 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.524 1.13 . . . . 10.0 113.532 172.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -88.23 -45.99 9.61 Favored 'General case' 0 C--O 1.213 -0.843 0 C-N-CA 127.673 2.389 . . . . 10.0 109.422 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -55.39 -32.38 62.59 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.6 1.545 . . . . 10.0 110.826 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -75.95 -37.43 58.66 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 118.037 -0.982 . . . . 10.0 111.117 175.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.28 -43.46 73.82 Favored 'General case' 0 C--O 1.199 -1.581 0 CA-C-O 117.667 -1.159 . . . . 10.0 109.911 175.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -61.83 -52.87 62.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 120.977 1.717 . . . . 10.0 111.881 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -61.16 -51.58 68.46 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 122.778 1.275 . . . . 10.0 110.593 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.4 m -65.71 -44.57 85.69 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.399 -0.819 . . . . 10.0 111.135 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -57.4 -46.44 83.46 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 108.025 -1.102 . . . . 10.0 108.025 173.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -54.12 -36.13 62.91 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 119.802 1.183 . . . . 10.0 112.436 176.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -68.95 0.22 Allowed 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 117.888 -1.053 . . . . 10.0 112.333 173.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -19.92 28.3 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 122.592 1.187 . . . . 10.0 113.287 174.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.8 t -77.29 -65.33 0.97 Allowed 'General case' 0 N--CA 1.441 -0.922 0 O-C-N 119.945 -1.722 . . . . 10.0 111.047 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -21.3 48.28 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.814 1.246 . . . . 10.0 111.677 176.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -53.51 -36.6 61.91 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.692 1.597 . . . . 10.0 111.841 168.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -11.87 3.31 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 114.091 1.145 . . . . 10.0 114.091 173.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.94 18.21 70.47 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 127.102 2.287 . . . . 10.0 111.122 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -77.1 176.87 8.29 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 123.088 1.423 . . . . 10.0 112.093 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.25 148.96 38.3 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-N 115.381 -0.827 . . . . 10.0 112.241 173.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -56.16 -56.05 25.66 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-O 117.315 -1.326 . . . . 10.0 111.821 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -57.64 8.35 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 126.167 1.787 . . . . 10.0 111.519 178.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -53.82 -47.8 70.53 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 119.169 -0.443 . . . . 10.0 110.759 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.0 -38.13 78.47 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 118.341 -0.838 . . . . 10.0 112.618 175.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -67.87 0.41 Allowed 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 126.914 2.085 . . . . 10.0 111.165 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -29.15 3.76 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.249 1.42 . . . . 10.0 112.65 178.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.8 -62.11 1.79 Allowed 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 115.267 -2.301 . . . . 10.0 113.02 172.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.8 m -47.65 -27.8 2.08 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.681 1.992 . . . . 10.0 113.153 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -61.9 -63.3 1.3 Allowed 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 126.124 1.769 . . . . 10.0 110.295 173.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.75 -23.2 61.57 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 118.438 -0.791 . . . . 10.0 112.391 177.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.64 -70.31 0.11 Allowed 'General case' 0 C--O 1.236 0.358 0 C-N-CA 126.501 1.92 . . . . 10.0 109.74 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.4 m -81.35 47.96 1.1 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.569 0.699 . . . . 10.0 110.378 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.14 91.23 1.25 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.956 1.302 . . . . 10.0 107.885 -179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.412 ' CG2' ' H ' ' A' ' 37' ' ' LYS . 1.4 p -59.69 -171.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 123.78 1.752 . . . . 10.0 111.307 174.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' H ' ' CG2' ' A' ' 36' ' ' VAL . 0.6 OUTLIER -160.05 93.77 1.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 120.536 -1.353 . . . . 10.0 110.328 175.695 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -150.49 122.83 8.4 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -134.37 77.46 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 106.321 -1.733 . . . . 10.0 106.321 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.93 125.82 5.37 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.24 0.616 . . . . 10.0 109.987 176.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -57.44 148.32 23.77 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -69.54 83.32 0.42 Allowed 'General case' 0 C--O 1.226 -0.158 0 N-CA-C 108.039 -1.097 . . . . 10.0 108.039 175.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.06 140.67 8.92 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 124.737 1.273 . . . . 10.0 109.149 178.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.35 -54.12 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.611 0 O-C-N 123.945 0.778 . . . . 10.0 111.008 -176.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.3 p-10 -39.9 131.09 1.96 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 122.83 1.3 . . . . 10.0 113.138 174.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -170.94 161.91 7.16 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 121.25 -0.907 . . . . 10.0 108.84 -174.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.72 154.35 49.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.446 -0.797 . . . . 10.0 111.124 174.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -71.71 -178.6 3.16 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 122.59 2.193 . . . . 10.0 111.471 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.419 ' HE3' ' OD1' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -135.45 -63.18 0.68 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 117.724 -1.131 . . . . 10.0 110.7 177.194 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.419 ' OD1' ' HE3' ' A' ' 49' ' ' LYS . 42.4 p-10 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 114.85 -2.5 . . . . 10.0 113.477 -177.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 CA--C 1.499 -0.99 0 N-CA-C 108.195 -1.039 . . . . 10.0 108.195 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.14 -10.74 46.11 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 124.483 1.114 . . . . 10.0 111.767 171.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.1 82.83 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 120.282 1.401 . . . . 10.0 112.377 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -48.14 -31.83 6.16 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.402 0.89 . . . . 10.0 113.402 173.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -88.08 -43.16 11.89 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 124.877 1.271 . . . . 10.0 113.689 172.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -30.11 65.19 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 125.045 1.338 . . . . 10.0 111.949 175.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -77.55 -36.42 52.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 117.7 -1.143 . . . . 10.0 111.566 172.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -42.4 72.56 Favored 'General case' 0 C--O 1.194 -1.825 0 CA-C-O 117.049 -1.453 . . . . 10.0 110.473 174.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -62.64 -51.68 66.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 121.769 2.077 . . . . 10.0 111.792 177.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.46 -51.86 66.92 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.391 1.091 . . . . 10.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.2 m -66.8 -43.98 82.45 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.13 0.972 . . . . 10.0 110.992 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 45.6 t -57.25 -45.53 83.9 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 123.591 0.756 . . . . 10.0 109.106 173.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -54.38 -38.68 66.41 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 117.468 -1.253 . . . . 10.0 112.616 174.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -54.35 -65.88 0.5 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.058 -0.972 . . . . 10.0 112.492 172.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.49 -12.22 30.12 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 123.47 1.605 . . . . 10.0 113.219 174.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 t -81.99 -63.61 1.35 Allowed 'General case' 0 N--CA 1.443 -0.788 0 O-C-N 118.962 -2.336 . . . . 10.0 111.365 176.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -23.98 9.22 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 116.743 -1.599 . . . . 10.0 112.016 174.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -50.94 -36.4 38.49 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.053 1.341 . . . . 10.0 112.942 167.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -11.86 3.91 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 114.071 1.137 . . . . 10.0 114.071 173.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.24 16.05 77.21 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 126.724 2.107 . . . . 10.0 110.74 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -77.04 176.9 8.24 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 122.999 1.381 . . . . 10.0 112.346 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.87 144.26 28.63 Favored Glycine 0 C--N 1.329 0.164 0 CA-C-N 115.274 -0.876 . . . . 10.0 111.597 173.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -47.25 -48.61 24.45 Favored 'General case' 0 C--O 1.211 -0.952 0 C-N-CA 125.205 1.402 . . . . 10.0 110.573 175.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -57.32 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 124.227 1.011 . . . . 10.0 110.935 -175.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -57.7 -43.68 85.36 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.638 0.732 . . . . 10.0 111.262 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -36.05 79.91 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 117.447 -1.263 . . . . 10.0 112.761 173.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -65.85 0.63 Allowed 'General case' 0 CA--C 1.506 -0.739 0 C-N-CA 127.499 2.32 . . . . 10.0 109.437 177.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.2 ptm -51.72 -37.33 50.52 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.703 0.764 . . . . 10.0 112.174 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -71.63 -59.32 2.82 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 115.911 -1.995 . . . . 10.0 110.809 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 31.2 m -46.1 -29.36 1.49 Allowed 'General case' 0 CA--C 1.536 0.421 0 O-C-N 125.245 1.591 . . . . 10.0 113.464 170.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -60.82 -61.62 2.45 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 125.342 1.457 . . . . 10.0 111.185 172.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -71.12 -26.62 63.1 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-O 117.633 -1.175 . . . . 10.0 111.869 177.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -52.98 -76.69 0.02 OUTLIER 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.093 1.357 . . . . 10.0 109.5 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -84.52 94.65 8.61 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 106.429 -1.693 . . . . 10.0 106.429 -178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -110.15 93.96 4.77 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 106.319 -1.734 . . . . 10.0 106.319 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.464 ' CG2' ' H ' ' A' ' 37' ' ' LYS . 1.4 p -57.72 -169.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 124.455 2.074 . . . . 10.0 111.331 174.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.464 ' H ' ' CG2' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -152.19 -38.79 0.11 Allowed 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 120.527 -1.358 . . . . 10.0 112.889 172.333 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -52.33 129.63 28.83 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 125.671 1.857 . . . . 10.0 110.163 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.8 t -136.61 78.82 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.586 0 N-CA-C 105.596 -2.002 . . . . 10.0 105.596 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -48.81 -73.03 0.04 OUTLIER 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 123.335 0.654 . . . . 10.0 111.111 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.32 177.35 9.04 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 172.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -104.74 71.54 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.522 -1.288 . . . . 10.0 107.522 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 mp -49.08 154.49 0.77 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.804 0.69 . . . . 10.0 110.395 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -167.4 177.56 5.96 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.129 -1.063 . . . . 10.0 108.129 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 65.42 94.44 0.06 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.65 1.18 . . . . 10.0 111.595 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -168.37 85.34 0.18 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 120.949 -1.094 . . . . 10.0 109.873 -173.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -174.77 81.54 0.33 Allowed Pre-proline 0 N--CA 1.47 0.572 0 O-C-N 121.614 -0.679 . . . . 10.0 109.852 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -69.67 130.97 20.39 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 N-CA-C 107.522 -1.761 . . . . 10.0 107.522 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.59 149.88 1.55 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.058 0.943 . . . . 10.0 110.871 176.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.258 1.505 0 CA-C-O 116.926 -1.511 . . . . 10.0 112.493 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.509 -0.631 0 CA-C-O 118.352 -0.832 . . . . 10.0 108.9 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.24 -41.51 97.02 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 118.262 0.483 . . . . 10.0 111.407 173.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.3 -43.69 98.45 Favored 'General case' 0 C--O 1.222 -0.381 0 O-C-N 121.395 -0.815 . . . . 10.0 112.011 -177.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.87 -32.82 6.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.507 1.123 . . . . 10.0 112.269 172.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.407 ' CE2' ' O ' ' A' ' 34' ' ' CYS . 27.3 t80 -87.36 -45.07 10.89 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.291 1.036 . . . . 10.0 111.615 175.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -56.46 -33.81 66.27 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 118.941 0.791 . . . . 10.0 110.43 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -69.5 -44.19 71.59 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.767 0.827 . . . . 10.0 110.723 173.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -45.08 90.08 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 118.025 0.375 . . . . 10.0 110.223 178.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -60.82 -54.42 45.39 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 124.806 1.242 . . . . 10.0 112.137 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -60.25 -52.9 63.33 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 122.967 1.365 . . . . 10.0 110.866 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.5 m -64.79 -43.42 93.26 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.586 1.154 . . . . 10.0 112.001 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.0 t -58.67 -45.44 89.41 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 119.114 0.87 . . . . 10.0 108.687 172.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -54.71 -34.45 62.42 Favored 'General case' 0 C--O 1.222 -0.384 0 O-C-N 120.824 -1.173 . . . . 10.0 112.791 177.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -68.6 0.23 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.954 0.902 . . . . 10.0 111.729 172.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -62.02 -14.72 38.46 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 122.268 1.033 . . . . 10.0 112.654 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.0 t -81.33 -62.23 1.72 Allowed 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 120.214 -1.554 . . . . 10.0 111.017 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -25.47 37.81 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.37 -1.456 . . . . 10.0 112.433 175.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -51.8 -38.25 54.95 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.072 1.349 . . . . 10.0 111.259 169.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -10.1 4.76 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 118.266 -0.873 . . . . 10.0 112.956 176.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.63 18.59 77.3 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 127.066 2.269 . . . . 10.0 112.223 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -76.16 173.86 10.81 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 122.437 1.113 . . . . 10.0 111.341 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.54 130.77 23.62 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.107 -1.197 . . . . 10.0 110.107 173.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -39.56 -59.02 1.18 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.703 1.601 . . . . 10.0 112.884 174.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.93 -58.03 6.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.484 1.914 . . . . 10.0 111.67 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -52.98 -47.87 67.87 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.871 -0.518 . . . . 10.0 110.188 176.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -37.33 76.8 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-O 118.311 -0.852 . . . . 10.0 111.772 176.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -68.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 126.249 1.82 . . . . 10.0 110.194 175.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -33.53 17.24 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.826 0.85 . . . . 10.0 112.684 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.79 -56.64 4.56 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-O 118.51 -0.757 . . . . 10.0 111.769 176.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.7 m -49.04 -28.37 3.99 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.49 1.516 . . . . 10.0 113.248 172.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -61.93 -61.54 2.42 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.084 1.753 . . . . 10.0 110.179 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -71.54 -26.47 62.66 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.123 -0.944 . . . . 10.0 111.438 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -55.14 -72.5 0.07 Allowed 'General case' 0 C--O 1.235 0.332 0 C-N-CA 125.514 1.525 . . . . 10.0 111.1 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.407 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 3.2 t -86.36 91.15 8.41 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 107.522 -1.288 . . . . 10.0 107.522 177.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.2 123.3 13.65 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 122.466 1.127 . . . . 10.0 109.321 176.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.15 -170.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 123.091 1.424 . . . . 10.0 110.452 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -145.93 159.58 43.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.145 -0.934 . . . . 10.0 111.586 175.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.42 120.2 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.825 1.25 . . . . 10.0 108.944 176.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.2 t -133.44 80.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 105.61 -1.996 . . . . 10.0 105.61 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.66 131.3 21.55 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.8 174.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -117.85 38.03 3.77 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 124.139 1.923 . . . . 10.0 111.153 -176.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -133.3 62.28 1.66 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.72 -1.127 . . . . 10.0 108.961 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.67 152.95 0.88 Allowed 'General case' 0 CA--C 1.533 0.303 0 O-C-N 124.942 1.402 . . . . 10.0 109.997 176.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -71.96 162.24 29.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.159 0.98 . . . . 10.0 111.221 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -136.22 158.64 43.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.919 0.866 . . . . 10.0 109.217 176.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -142.22 173.09 11.84 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.844 -1.071 . . . . 10.0 109.707 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.05 152.32 46.5 Favored Pre-proline 0 C--N 1.327 -0.384 0 C-N-CA 124.298 1.039 . . . . 10.0 111.073 177.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -68.35 168.5 19.33 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 122.04 1.827 . . . . 10.0 110.598 176.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.97 167.07 10.04 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.589 1.556 . . . . 10.0 109.054 174.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.29 1.436 . . . . 10.0 113.023 172.018 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 106.925 -1.509 . . . . 10.0 106.925 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.44 -80.36 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 118.919 0.781 . . . . 10.0 112.284 177.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.52 77.65 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 124.903 1.281 . . . . 10.0 112.779 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -33.17 12.91 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.922 0.868 . . . . 10.0 112.52 175.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.4 ' CE1' ' O ' ' A' ' 35' ' ' SER . 45.2 t80 -87.4 -39.89 14.88 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 124.86 1.264 . . . . 10.0 111.063 176.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -33.06 62.37 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.006 1.323 . . . . 10.0 110.954 177.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -71.25 -43.11 67.9 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 118.573 -0.727 . . . . 10.0 111.03 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.46 -44.28 87.72 Favored 'General case' 0 C--O 1.198 -1.608 0 CA-C-O 118.475 -0.774 . . . . 10.0 109.956 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -61.5 -52.8 62.99 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 125.506 1.522 . . . . 10.0 111.781 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.49 -50.79 71.3 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 122.577 1.18 . . . . 10.0 111.157 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.2 m -66.69 -43.89 83.21 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.998 1.319 . . . . 10.0 111.452 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 t -58.05 -47.65 82.48 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 107.798 -1.186 . . . . 10.0 107.798 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -53.37 -36.18 61.11 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 119.901 1.228 . . . . 10.0 112.519 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -69.61 0.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.21 -0.9 . . . . 10.0 112.254 172.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -58.71 -18.29 30.07 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 122.286 1.041 . . . . 10.0 112.382 174.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.7 t -79.14 -63.02 1.51 Allowed 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 119.419 -2.05 . . . . 10.0 110.545 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -23.87 33.06 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 120.352 -1.467 . . . . 10.0 112.115 175.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.4 -36.79 45.15 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.139 1.376 . . . . 10.0 111.482 169.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -10.88 4.96 Favored 'General case' 0 C--N 1.344 0.353 0 N-CA-C 112.989 0.737 . . . . 10.0 112.989 175.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.85 16.87 76.27 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 126.282 1.896 . . . . 10.0 111.519 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -78.27 175.64 10.02 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.709 1.242 . . . . 10.0 111.716 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.97 148.56 38.16 Favored Glycine 0 CA--C 1.521 0.464 0 CA-C-N 115.233 -0.894 . . . . 10.0 112.003 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -55.37 -57.24 12.67 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 124.917 1.287 . . . . 10.0 112.087 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.03 -57.15 8.21 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 125.774 1.63 . . . . 10.0 111.567 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -53.99 -49.24 69.27 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 122.741 0.416 . . . . 10.0 110.381 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -35.28 73.33 Favored 'General case' 0 C--O 1.204 -1.298 0 CA-C-O 118.552 -0.737 . . . . 10.0 112.045 176.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.85 -66.16 0.6 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 126.405 1.882 . . . . 10.0 111.318 177.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.34 -27.97 4.47 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.996 1.318 . . . . 10.0 112.188 176.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.65 -59.57 2.47 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 116.659 -1.639 . . . . 10.0 112.25 174.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 46.0 m -46.18 -28.66 1.3 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 126.48 1.912 . . . . 10.0 112.744 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -61.16 -64.57 0.91 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.003 1.321 . . . . 10.0 109.486 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -19.55 62.55 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 120.772 -1.205 . . . . 10.0 112.928 177.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -55.97 -72.81 0.07 Allowed 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 126.687 1.995 . . . . 10.0 109.112 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 t -67.12 -45.82 76.01 Favored 'General case' 0 N--CA 1.441 -0.902 0 O-C-N 124.418 1.074 . . . . 10.0 108.858 -177.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.4 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 3.5 t 159.48 104.71 0.0 OUTLIER 'General case' 0 C--N 1.345 0.383 0 C-N-CA 126.394 1.877 . . . . 10.0 112.76 -178.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.406 ' CG2' ' H ' ' A' ' 37' ' ' LYS . 2.0 p -57.82 -171.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 123.822 1.772 . . . . 10.0 110.528 178.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' H ' ' CG2' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -156.05 120.98 4.7 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 120.263 -1.523 . . . . 10.0 109.935 175.054 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -138.39 126.26 22.46 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.801 -0.815 . . . . 10.0 108.801 179.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.7 t -150.12 81.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 106.56 -1.644 . . . . 10.0 106.56 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -49.62 -82.2 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.765 0.826 . . . . 10.0 112.128 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -159.14 155.33 27.03 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.43 -0.581 . . . . 10.0 109.43 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.73 62.57 3.79 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.827 -0.805 . . . . 10.0 108.827 176.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -46.39 138.54 5.56 Favored 'General case' 0 CA--C 1.528 0.122 0 O-C-N 124.338 1.024 . . . . 10.0 109.805 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.58 155.6 1.79 Allowed 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.657 -1.238 . . . . 10.0 107.657 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 58.91 147.5 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 122.883 1.325 . . . . 10.0 112.704 -175.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -171.27 100.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 120.697 -1.252 . . . . 10.0 109.67 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -164.67 71.04 1.52 Allowed Pre-proline 0 C--O 1.235 0.342 0 O-C-N 120.788 -1.195 . . . . 10.0 110.179 176.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -65.46 134.08 37.17 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 121.824 1.683 . . . . 10.0 108.663 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -53.3 156.03 2.52 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 118.594 -0.717 . . . . 10.0 109.849 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.2 t30 . . . . . 0 C--O 1.254 1.308 0 CA-C-O 115.108 -2.377 . . . . 10.0 109.768 174.781 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 108.292 -1.003 . . . . 10.0 108.292 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.83 117.43 15.92 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 124.973 1.309 . . . . 10.0 108.751 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 174.85 -93.79 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.922 0.889 . . . . 10.0 110.099 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -26.54 22.22 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 122.256 1.027 . . . . 10.0 112.137 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -86.28 -45.92 10.81 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 124.568 1.147 . . . . 10.0 112.491 174.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -30.63 65.36 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 118.365 0.529 . . . . 10.0 111.379 176.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -77.81 -34.71 51.98 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 118.115 -0.945 . . . . 10.0 111.794 174.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -72.0 -42.41 66.45 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-O 118.198 -0.906 . . . . 10.0 110.305 175.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -62.5 -52.02 65.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 120.091 1.314 . . . . 10.0 111.634 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -61.93 -50.84 70.56 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.061 0.934 . . . . 10.0 110.568 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.3 m -65.43 -46.0 81.65 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.41 -0.814 . . . . 10.0 110.837 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 48.8 t -56.32 -46.66 79.77 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 108.244 -1.021 . . . . 10.0 108.244 174.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -53.17 -38.29 62.66 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 119.186 0.903 . . . . 10.0 112.015 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -56.92 -69.27 0.16 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 117.927 -1.035 . . . . 10.0 112.114 174.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.27 -17.14 26.07 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 122.913 1.339 . . . . 10.0 112.777 174.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.8 t -78.13 -67.8 0.7 Allowed 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 119.642 -1.911 . . . . 10.0 110.601 176.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -23.55 18.82 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.048 -1.033 . . . . 10.0 111.205 176.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -52.33 -36.03 52.31 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.073 1.349 . . . . 10.0 111.737 170.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -12.06 5.92 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 113.376 0.88 . . . . 10.0 113.376 174.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.78 18.57 67.63 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.903 1.715 . . . . 10.0 110.661 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -77.75 177.65 7.98 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 122.891 1.329 . . . . 10.0 111.958 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.2 149.78 36.22 Favored Glycine 0 C--N 1.331 0.292 0 CA-C-N 115.309 -0.859 . . . . 10.0 112.065 173.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -54.27 -57.7 10.2 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 124.619 1.168 . . . . 10.0 111.038 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.99 -57.94 7.31 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 124.991 1.316 . . . . 10.0 111.244 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -53.68 -47.6 70.27 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 119.454 -0.308 . . . . 10.0 110.565 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.72 -36.54 74.44 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 118.469 -0.777 . . . . 10.0 112.431 175.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -68.75 0.35 Allowed 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 125.909 1.684 . . . . 10.0 110.826 176.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.2 mtt -47.99 -29.64 3.62 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.487 1.04 . . . . 10.0 112.469 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -64.37 1.18 Allowed 'General case' 0 C--O 1.214 -0.789 0 CA-C-O 115.468 -2.206 . . . . 10.0 112.264 174.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.42 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 65.4 m -47.26 -29.4 2.41 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.621 1.568 . . . . 10.0 112.654 174.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -61.15 -62.25 1.98 Allowed 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 125.187 1.395 . . . . 10.0 110.694 174.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -70.58 -25.14 62.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.614 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -54.44 -73.5 0.05 OUTLIER 'General case' 0 C--O 1.233 0.203 0 C-N-CA 125.663 1.585 . . . . 10.0 109.565 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.55 94.98 10.07 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 108.019 -1.104 . . . . 10.0 108.019 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -154.89 120.81 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 122.022 0.915 . . . . 10.0 109.155 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.422 ' CG1' ' H ' ' A' ' 37' ' ' LYS . 1.5 t -74.92 -177.49 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 122.296 1.046 . . . . 10.0 109.672 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' H ' ' CG1' ' A' ' 36' ' ' VAL . 0.4 OUTLIER -85.41 -176.54 6.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.389 -0.819 . . . . 10.0 111.222 175.06 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -107.4 161.82 14.48 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.219 1.008 . . . . 10.0 109.968 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.5 t -155.12 92.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 106.267 -1.753 . . . . 10.0 106.267 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -47.24 134.62 11.05 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.188 0.595 . . . . 10.0 109.572 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -88.82 36.47 0.81 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 123.575 1.655 . . . . 10.0 109.96 -178.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.1 -175.79 5.1 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 120.212 -1.555 . . . . 10.0 109.859 178.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.2 157.37 17.85 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -76.6 165.82 24.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 123.502 1.62 . . . . 10.0 113.321 173.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -103.13 -171.8 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 120.418 -1.426 . . . . 10.0 110.708 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -147.42 147.41 30.21 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.861 -1.063 . . . . 10.0 109.364 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.44 85.38 58.66 Favored Pre-proline 0 CA--C 1.53 0.185 0 C-N-CA 123.402 0.681 . . . . 10.0 109.55 177.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -70.24 150.47 65.32 Favored 'Trans proline' 0 N--CA 1.449 -1.113 0 C-N-CA 121.863 1.709 . . . . 10.0 110.098 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -74.97 0.09 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.36 -0.836 . . . . 10.0 110.66 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 116.344 -1.789 . . . . 10.0 111.104 174.373 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 64.89 103.24 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 127.354 2.262 . . . . 10.0 113.405 176.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.01 -94.79 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.579 -1.326 . . . . 10.0 110.528 -174.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -53.04 -29.22 28.54 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.221 1.408 . . . . 10.0 113.328 175.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -79.93 -50.9 9.78 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 125.334 1.454 . . . . 10.0 113.075 170.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -57.86 -31.7 66.95 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.382 0.673 . . . . 10.0 111.944 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -73.0 -41.03 64.71 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 124.383 1.073 . . . . 10.0 112.766 170.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 t -65.32 -44.83 86.6 Favored 'General case' 0 C--O 1.206 -1.184 0 CA-C-N 118.67 0.668 . . . . 10.0 110.684 174.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -60.53 -54.41 45.84 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.766 1.226 . . . . 10.0 112.688 177.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -61.06 -51.56 68.67 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 122.084 0.945 . . . . 10.0 110.892 -179.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -66.5 -41.6 88.63 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.676 1.19 . . . . 10.0 112.495 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.5 t -60.26 -43.83 95.81 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.882 -0.784 . . . . 10.0 108.882 170.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -56.73 -31.27 64.38 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.102 -1.624 . . . . 10.0 114.129 175.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -60.97 -69.17 0.25 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.592 1.157 . . . . 10.0 111.483 170.343 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -60.39 -16.6 37.21 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 122.403 1.097 . . . . 10.0 113.346 175.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.8 t -79.81 -60.14 2.46 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 119.535 -1.978 . . . . 10.0 112.674 174.071 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -23.95 65.54 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.958 -1.089 . . . . 10.0 111.868 175.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -50.61 -40.15 52.02 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.666 1.986 . . . . 10.0 112.166 166.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -8.34 1.22 Allowed 'General case' 0 C--N 1.346 0.414 0 N-CA-C 114.589 1.329 . . . . 10.0 114.589 173.424 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.46 17.6 75.57 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 127.466 2.46 . . . . 10.0 112.711 -179.601 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -76.94 172.01 13.85 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 122.888 1.328 . . . . 10.0 112.425 177.301 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.62 148.37 40.12 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 115.114 -0.948 . . . . 10.0 111.832 174.138 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.91 -56.11 18.32 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.279 1.431 . . . . 10.0 112.469 178.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -53.69 -54.73 33.83 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.128 2.171 . . . . 10.0 112.242 178.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -54.07 -49.68 68.48 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 122.535 0.334 . . . . 10.0 110.538 174.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.56 -35.31 75.74 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 113.453 0.909 . . . . 10.0 113.453 175.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.28 -68.37 0.36 Allowed 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 125.731 1.613 . . . . 10.0 109.973 174.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -27.93 6.83 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.609 1.564 . . . . 10.0 112.758 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -79.91 -57.73 3.5 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 117.784 -1.103 . . . . 10.0 113.624 173.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.8 m -52.41 -29.41 24.15 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.816 2.046 . . . . 10.0 114.836 171.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -59.68 -66.08 0.57 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 128.442 2.697 . . . . 10.0 109.903 171.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 m -68.72 -25.76 64.92 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 118.086 -0.959 . . . . 10.0 112.201 178.326 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -56.22 -74.71 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.872 1.669 . . . . 10.0 110.029 176.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -91.93 80.11 5.22 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.899 -1.046 . . . . 10.0 108.314 -178.363 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 t -162.34 127.51 3.34 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 122.395 1.093 . . . . 10.0 110.377 179.112 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -73.42 -178.38 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 122.577 1.18 . . . . 10.0 109.379 175.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -107.01 162.18 14.07 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 124.421 1.088 . . . . 10.0 110.336 175.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -60.56 164.76 4.24 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.563 1.164 . . . . 10.0 111.468 171.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 t -137.05 65.46 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 124.495 1.118 . . . . 10.0 109.621 -177.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 173.72 84.58 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.639 1.576 . . . . 10.0 114.183 178.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -109.55 31.99 5.36 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 123.527 1.632 . . . . 10.0 111.806 -178.436 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.84 63.74 0.65 Allowed 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.321 1.048 . . . . 10.0 110.086 -179.369 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.36 139.72 6.24 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 114.36 -1.291 . . . . 10.0 110.143 174.781 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.15 130.85 45.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 179.064 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -175.67 139.87 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.331 1.052 . . . . 10.0 108.389 176.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -166.36 144.51 5.45 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 179.174 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.93 152.77 52.17 Favored Pre-proline 0 N--CA 1.469 0.481 0 CA-C-O 118.627 -0.701 . . . . 10.0 111.503 175.054 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -69.9 179.79 3.52 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.567 2.178 . . . . 10.0 110.67 176.062 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.65 146.01 49.91 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 125.29 1.436 . . . . 10.0 107.486 174.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.5 p30 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 113.37 -3.205 . . . . 10.0 111.403 169.319 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.213 -0.863 0 N-CA-C 107.999 -1.111 . . . . 10.0 107.999 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 172.48 -41.85 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.339 1.456 . . . . 10.0 109.593 -173.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.74 -47.17 74.18 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.562 0.696 . . . . 10.0 112.012 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -48.7 -31.5 6.94 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.446 1.276 . . . . 10.0 114.446 175.662 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -88.45 -43.02 11.76 Favored 'General case' 0 C--O 1.212 -0.908 0 C-N-CA 126.78 2.032 . . . . 10.0 110.654 173.171 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -56.54 -33.5 66.15 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 120.674 1.579 . . . . 10.0 111.066 177.242 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.26 -38.81 63.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 123.236 0.614 . . . . 10.0 112.232 174.007 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.7 -43.84 83.32 Favored 'General case' 0 C--O 1.205 -1.25 0 O-C-N 123.992 0.808 . . . . 10.0 111.164 174.337 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -62.1 -52.55 63.43 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.321 0.648 . . . . 10.0 111.989 178.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.57 -52.0 66.23 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.251 1.024 . . . . 10.0 110.215 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.5 m -64.64 -45.29 87.44 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.931 0.892 . . . . 10.0 111.925 -179.5 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.4 t -56.99 -48.16 79.11 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 108.194 -1.039 . . . . 10.0 108.194 173.036 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -52.46 -33.18 43.22 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.745 -1.222 . . . . 10.0 113.658 176.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -60.82 -68.81 0.27 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.646 1.216 . . . . 10.0 111.77 173.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -19.48 44.45 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 123.205 1.479 . . . . 10.0 113.278 174.604 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.0 t -77.49 -61.94 1.82 Allowed 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 119.621 -1.925 . . . . 10.0 112.552 175.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -21.27 61.27 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.308 -0.86 . . . . 10.0 112.188 176.527 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -53.7 -38.37 64.18 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.926 1.291 . . . . 10.0 111.97 168.357 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -7.9 2.51 Favored 'General case' 0 C--O 1.243 0.737 0 N-CA-C 114.18 1.178 . . . . 10.0 114.18 174.364 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.5 20.65 76.53 Favored Glycine 0 C--N 1.344 0.983 0 C-N-CA 126.128 1.823 . . . . 10.0 110.947 179.2 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -76.56 175.09 9.6 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 123.603 1.668 . . . . 10.0 111.307 177.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.62 131.37 18.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.077 -1.015 . . . . 10.0 110.717 173.437 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.37 -58.03 1.63 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.246 1.818 . . . . 10.0 112.901 176.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.74 -59.43 3.82 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 126.874 2.07 . . . . 10.0 111.198 176.503 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -52.8 -46.2 67.56 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 122.638 0.375 . . . . 10.0 110.605 177.531 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -36.21 76.63 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-O 118.045 -0.979 . . . . 10.0 113.154 175.158 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -68.3 0.38 Allowed 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.591 1.156 . . . . 10.0 110.541 174.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.4 ttp -47.01 -29.78 2.28 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.408 1.483 . . . . 10.0 111.799 179.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.89 -60.74 2.23 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-O 117.015 -1.469 . . . . 10.0 112.453 174.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.1 m -47.45 -27.58 1.78 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.737 1.615 . . . . 10.0 113.72 173.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -62.06 -63.17 1.33 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 126.244 1.818 . . . . 10.0 111.002 172.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -72.55 -21.76 61.11 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.232 -0.917 . . . . 10.0 111.604 177.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -56.01 -70.6 0.11 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.96 1.704 . . . . 10.0 109.991 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.1 38.63 0.54 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 123.303 1.525 . . . . 10.0 112.653 179.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.11 54.24 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.845 1.658 . . . . 10.0 110.406 -176.889 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.403 ' CG2' ' H ' ' A' ' 37' ' ' LYS . 1.0 OUTLIER -59.57 -174.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 119.729 -1.857 . . . . 10.0 111.097 175.077 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' H ' ' CG2' ' A' ' 36' ' ' VAL . 0.3 OUTLIER -159.2 169.64 23.7 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.27 -0.877 . . . . 10.0 110.207 176.473 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -152.53 122.86 7.19 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 178.328 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -122.36 52.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 123.69 0.796 . . . . 10.0 110.205 178.724 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -42.01 114.09 0.51 Allowed 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.55 0.74 . . . . 10.0 109.679 -177.508 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.32 121.41 10.09 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.41 1.694 . . . . 10.0 106.687 -175.839 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.59 125.12 5.57 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.313 -1.365 . . . . 10.0 107.313 -179.403 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 mt -51.78 127.17 20.04 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 -177.687 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -130.6 138.13 49.98 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.524 -1.288 . . . . 10.0 107.524 -174.42 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 178.35 -45.93 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.582 0.706 . . . . 10.0 110.583 178.584 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -41.4 126.37 2.79 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.338 1.855 . . . . 10.0 110.308 177.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.92 73.85 0.65 Allowed Pre-proline 0 CA--C 1.533 0.293 0 O-C-N 121.182 -0.949 . . . . 10.0 109.391 179.235 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -66.69 145.2 74.82 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 120.866 1.044 . . . . 10.0 109.756 176.446 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -179.99 1.37 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.501 0.72 . . . . 10.0 111.406 172.415 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.9 m120 . . . . . 0 C--O 1.272 2.268 0 C-N-CA 125.091 1.356 . . . . 10.0 112.257 173.625 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 CA--C 1.508 -0.647 0 N-CA-C 107.785 -1.191 . . . . 10.0 107.785 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.53 120.08 0.07 Allowed 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 -177.92 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 168.93 -96.69 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.618 0 O-C-N 123.929 0.768 . . . . 10.0 110.941 179.396 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.44 -29.2 3.84 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.221 1.008 . . . . 10.0 111.708 176.497 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -86.44 -44.19 12.2 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 124.081 0.953 . . . . 10.0 111.175 175.519 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -56.96 -27.33 61.12 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 118.919 0.781 . . . . 10.0 111.579 175.709 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.97 -33.1 30.38 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 109.929 -0.397 . . . . 10.0 109.929 177.151 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.35 -42.92 61.67 Favored 'General case' 0 C--O 1.195 -1.78 0 CA-C-O 117.948 -1.025 . . . . 10.0 109.108 176.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -62.86 -51.75 65.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 120.593 1.542 . . . . 10.0 110.998 178.524 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -61.53 -51.97 66.39 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 122.293 1.044 . . . . 10.0 109.823 -179.784 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.4 m -64.1 -46.29 84.9 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.621 -178.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.9 t -56.41 -45.83 80.47 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 107.936 -1.135 . . . . 10.0 107.936 176.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.487 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.7 t-80 -53.56 -40.67 65.77 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-O 118.102 -0.951 . . . . 10.0 110.243 177.683 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -54.1 -69.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 119.258 0.936 . . . . 10.0 111.312 176.086 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -16.32 22.3 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 122.848 1.309 . . . . 10.0 112.074 176.087 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.8 t -78.7 -68.39 0.65 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.719 -1.863 . . . . 10.0 109.308 178.23 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.43 -26.2 4.77 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.317 1.447 . . . . 10.0 110.168 177.891 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.62 -36.68 46.87 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 124.04 0.936 . . . . 10.0 112.093 172.083 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -14.16 9.78 Favored 'General case' 0 N--CA 1.444 -0.728 0 O-C-N 121.108 -0.995 . . . . 10.0 112.152 174.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.85 19.45 72.96 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 125.843 1.687 . . . . 10.0 109.782 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -75.82 -179.58 4.89 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 122.363 1.078 . . . . 10.0 111.674 177.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.37 130.28 9.96 Favored Glycine 0 C--O 1.223 -0.554 0 N-CA-C 110.656 -0.978 . . . . 10.0 110.656 176.089 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -39.47 -60.01 1.01 Allowed 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 124.93 1.292 . . . . 10.0 112.213 178.067 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.99 -58.7 4.09 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 124.988 1.43 . . . . 10.0 110.702 179.102 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -53.55 -47.58 69.9 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 122.813 0.445 . . . . 10.0 110.646 178.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.487 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -57.49 -36.68 71.83 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-O 118.907 -0.568 . . . . 10.0 110.933 175.819 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -66.6 0.53 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.031 1.332 . . . . 10.0 110.742 177.283 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 mtt -50.64 -36.5 35.69 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.419 0.628 . . . . 10.0 111.353 179.324 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -70.09 -63.94 0.99 Allowed 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 115.971 -1.966 . . . . 10.0 110.448 177.69 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.3 m -45.75 -27.13 0.76 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.949 1.406 . . . . 10.0 111.301 175.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -60.7 -61.31 2.68 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 122.147 0.975 . . . . 10.0 111.093 174.404 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -73.08 -21.94 60.68 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.782 -0.644 . . . . 10.0 111.413 177.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -53.09 -73.96 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.271 1.028 . . . . 10.0 108.929 177.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.42 83.66 6.89 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 106.942 -1.503 . . . . 10.0 106.942 -176.087 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.43 145.71 0.59 Allowed 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.546 -1.279 . . . . 10.0 107.546 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.1 p -58.38 -168.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 122.943 1.354 . . . . 10.0 111.04 175.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.71 -165.19 0.42 Allowed 'General case' 0 C--N 1.322 -0.587 0 O-C-N 120.357 -1.465 . . . . 10.0 109.743 175.505 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -65.7 173.84 2.62 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.575 1.172 . . . . 10.0 110.766 175.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.4 t -155.12 86.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.635 0 N-CA-C 107.746 -1.205 . . . . 10.0 107.746 -179.314 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -44.23 140.95 1.97 Allowed 'General case' 0 C--O 1.237 0.401 0 O-C-N 124.723 1.265 . . . . 10.0 110.117 178.566 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -83.96 163.02 20.24 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.248 -1.019 . . . . 10.0 108.248 -176.365 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.82 122.73 4.51 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 107.915 -1.143 . . . . 10.0 107.915 179.034 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -42.85 155.33 0.05 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.914 2.009 . . . . 10.0 110.264 179.379 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.13 173.03 12.95 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.834 179.065 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.27 136.39 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.946 1.831 . . . . 10.0 109.78 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -123.9 173.34 8.27 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 119.99 -1.694 . . . . 10.0 110.157 -178.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -61.47 155.82 56.44 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.266 176.139 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -73.89 148.29 40.5 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 122.001 1.801 . . . . 10.0 110.948 178.597 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -102.8 159.5 15.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.2 177.494 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 CA--C 1.546 0.808 0 CA-C-O 116.251 -1.833 . . . . 10.0 111.578 178.298 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 119.77 -0.157 . . . . 10.0 110.589 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -57.92 -32.8 68.12 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.158 1.54 . . . . 10.0 115.158 176.217 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.78 -48.41 59.47 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 118.174 -0.917 . . . . 10.0 112.737 177.725 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.49 -28.53 13.67 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.725 2.01 . . . . 10.0 115.586 172.353 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -88.84 -45.33 9.83 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 125.258 1.423 . . . . 10.0 110.779 170.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.31 -35.2 69.55 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.602 1.561 . . . . 10.0 112.615 178.425 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.68 -44.18 78.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.328 1.018 . . . . 10.0 111.507 171.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -46.46 76.62 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 125.1 1.5 . . . . 10.0 108.216 -178.539 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -59.11 -54.91 41.7 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 114.243 1.201 . . . . 10.0 114.243 174.218 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.81 -52.21 66.68 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 122.26 1.029 . . . . 10.0 111.731 178.179 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.8 m -67.0 -43.68 82.3 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.967 1.707 . . . . 10.0 113.701 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.7 t -58.98 -42.42 89.96 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 167.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -58.09 -35.33 71.27 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 119.849 -1.782 . . . . 10.0 115.347 172.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -59.08 -65.61 0.64 Allowed 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 116.953 -1.499 . . . . 10.0 112.003 168.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.93 -27.56 65.41 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 122.853 1.311 . . . . 10.0 114.432 176.047 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.6 t -75.37 -55.69 5.45 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 119.736 -1.852 . . . . 10.0 112.806 179.306 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -24.2 64.68 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.07 -1.423 . . . . 10.0 113.141 174.2 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -53.9 -41.62 67.81 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 127.304 2.242 . . . . 10.0 111.755 168.219 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -7.71 1.92 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.418 1.266 . . . . 10.0 114.418 173.905 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.65 16.44 61.81 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 127.847 2.641 . . . . 10.0 113.237 178.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.402 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 5.3 m-20 -72.66 173.61 8.76 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-O 122.668 1.223 . . . . 10.0 111.784 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.97 125.69 9.16 Favored Glycine 0 CA--C 1.539 1.58 0 O-C-N 120.76 -1.212 . . . . 10.0 110.613 174.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -38.28 -62.66 0.56 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 126.267 1.827 . . . . 10.0 113.46 177.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -51.41 -55.06 20.7 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 126.738 2.015 . . . . 10.0 114.115 175.115 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -54.67 -45.4 73.87 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.815 0.846 . . . . 10.0 111.861 176.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 21' ' ' ASN . 0.7 OUTLIER -59.84 -41.36 91.22 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 124.46 1.104 . . . . 10.0 112.166 173.647 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.2 -61.94 2.26 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.185 0.994 . . . . 10.0 110.758 174.356 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.62 -28.24 8.41 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.74 1.616 . . . . 10.0 113.706 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -82.29 -56.49 3.88 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 116.926 -1.511 . . . . 10.0 113.037 172.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 99.6 m -46.82 -27.99 1.41 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 129.168 2.987 . . . . 10.0 115.893 171.033 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.72 -65.67 0.65 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.431 2.692 . . . . 10.0 111.361 169.337 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -73.14 -13.9 61.27 Favored 'General case' 0 CA--C 1.562 1.436 0 N-CA-C 113.81 1.041 . . . . 10.0 113.81 174.043 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.94 -67.79 0.39 Allowed 'General case' 0 N--CA 1.474 0.725 0 O-C-N 120.09 -1.631 . . . . 10.0 111.132 177.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.4 m -81.27 32.17 0.34 Allowed 'General case' 0 C--O 1.252 1.204 0 C-N-CA 125.359 1.464 . . . . 10.0 113.636 178.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 t -148.04 147.74 29.91 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 113.434 -1.712 . . . . 10.0 110.924 178.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 t -81.87 177.53 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 O-C-N 119.9 -1.75 . . . . 10.0 111.158 172.096 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.19 -177.69 6.61 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.623 1.169 . . . . 10.0 112.08 177.44 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.02 109.93 21.28 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.778 1.631 . . . . 10.0 111.789 175.88 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 p -109.35 65.07 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.512 1.525 . . . . 10.0 110.028 179.127 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -52.72 122.99 10.13 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.172 -0.955 . . . . 10.0 112.332 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -121.69 31.38 6.29 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 127.387 2.275 . . . . 10.0 111.141 -172.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -117.96 59.64 0.79 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.587 1.955 . . . . 10.0 108.624 173.359 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.28 162.45 0.33 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 113.224 -1.807 . . . . 10.0 111.217 167.816 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.3 159.72 1.87 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 122.323 1.059 . . . . 10.0 113.333 177.881 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.04 -46.77 0.06 Allowed 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 122.442 1.115 . . . . 10.0 113.343 -173.768 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -40.97 105.47 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 127.616 2.366 . . . . 10.0 110.285 174.065 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -94.92 150.87 38.44 Favored Pre-proline 0 C--O 1.239 0.5 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.67 -178.557 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -65.37 167.5 16.55 Favored 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 121.486 1.458 . . . . 10.0 109.901 174.496 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.452 ' HE2' ' OXT' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -125.99 153.55 44.18 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.806 2.042 . . . . 10.0 109.832 174.335 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.452 ' OXT' ' HE2' ' A' ' 49' ' ' LYS . 9.4 t-20 . . . . . 0 C--O 1.247 0.943 0 C-N-CA 129.003 2.921 . . . . 10.0 104.494 175.602 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 108.183 -1.043 . . . . 10.0 108.183 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.48 119.22 30.28 Favored 'General case' 0 C--O 1.214 -0.793 0 C-N-CA 125.439 1.496 . . . . 10.0 108.282 -179.919 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 165.26 -96.59 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.762 0.425 . . . . 10.0 109.983 179.1 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -49.55 -29.44 6.92 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 122.665 1.221 . . . . 10.0 112.0 178.085 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -83.57 -48.21 10.48 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 125.176 1.39 . . . . 10.0 111.121 177.442 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -30.37 62.25 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 117.941 0.337 . . . . 10.0 110.631 177.667 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -77.92 -36.58 49.29 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.758 -1.115 . . . . 10.0 111.43 177.21 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -44.1 73.73 Favored 'General case' 0 C--O 1.201 -1.488 0 O-C-N 124.585 1.178 . . . . 10.0 110.986 174.202 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -61.92 -52.46 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 119.378 0.99 . . . . 10.0 112.224 177.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.29 -51.87 67.71 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 122.135 0.969 . . . . 10.0 110.022 179.604 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -66.21 -46.47 77.12 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.255 -0.884 . . . . 10.0 111.05 -178.06 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.3 t -54.89 -44.8 74.43 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 173.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.433 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.5 t-80 -55.9 -39.96 72.33 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 121.027 -1.046 . . . . 10.0 112.509 175.889 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -56.81 -68.93 0.18 Allowed 'General case' 0 C--O 1.212 -0.921 0 CA-C-O 116.148 -1.882 . . . . 10.0 110.422 173.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.45 -27.12 55.87 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 123.061 1.41 . . . . 10.0 113.468 176.789 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.32 -70.45 0.32 Allowed 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 120.176 -1.578 . . . . 10.0 109.361 178.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -24.65 63.06 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 121.568 -0.708 . . . . 10.0 111.354 177.588 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.87 -37.76 74.5 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.363 1.465 . . . . 10.0 110.881 173.354 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -62.36 -10.1 10.23 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 112.631 0.604 . . . . 10.0 112.631 174.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.4 21.56 29.19 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 126.041 1.781 . . . . 10.0 110.969 177.415 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.428 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -78.34 177.59 8.33 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 123.678 1.704 . . . . 10.0 110.03 -178.202 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.7 128.99 8.78 Favored Glycine 0 C--O 1.223 -0.578 0 O-C-N 120.579 -1.326 . . . . 10.0 110.069 176.121 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -39.09 -62.39 0.65 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.661 1.184 . . . . 10.0 112.051 177.019 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.42 -58.99 5.18 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.201 1.0 . . . . 10.0 111.199 -178.816 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -52.9 -40.35 63.47 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.934 -0.576 . . . . 10.0 112.109 177.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -60.92 -38.89 87.34 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 124.465 1.106 . . . . 10.0 110.864 176.412 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.26 -65.56 0.67 Allowed 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 117.47 -1.252 . . . . 10.0 110.811 173.357 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.52 -25.65 2.86 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.514 1.149 . . . . 10.0 112.875 -179.481 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -83.16 -63.7 1.31 Allowed 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 116.675 -1.631 . . . . 10.0 112.372 175.166 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 61.0 m -46.47 -28.7 1.47 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.995 1.718 . . . . 10.0 112.462 174.265 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.2 -64.24 1.02 Allowed 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 125.645 1.578 . . . . 10.0 109.521 173.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -69.46 -25.49 64.11 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 123.568 0.542 . . . . 10.0 112.199 178.491 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -55.14 -73.17 0.06 Allowed 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.63 1.172 . . . . 10.0 109.597 177.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.24 79.45 3.15 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.827 -1.175 . . . . 10.0 107.827 -178.369 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 p -172.18 96.8 0.16 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 125.033 2.349 . . . . 10.0 111.368 -178.341 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.426 ' CG1' ' H ' ' A' ' 37' ' ' LYS . 1.6 t -76.11 -174.72 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 O-C-N 120.287 -1.508 . . . . 10.0 109.185 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' H ' ' CG1' ' A' ' 36' ' ' VAL . 4.0 mmtt -53.6 150.01 7.47 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.322 -0.861 . . . . 10.0 111.407 174.542 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -97.31 130.77 44.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.086 -0.961 . . . . 10.0 108.826 -179.106 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.8 p -119.26 63.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 122.139 0.971 . . . . 10.0 108.889 179.047 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.09 143.85 2.15 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.614 -0.679 . . . . 10.0 111.212 -179.457 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -72.41 165.14 25.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.082 0.944 . . . . 10.0 110.493 -179.223 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 94.18 0.21 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.238 177.424 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.3 mt -45.91 127.0 7.86 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.422 1.089 . . . . 10.0 108.761 -177.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.23 165.42 19.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.523 0.677 . . . . 10.0 109.963 -178.253 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -138.23 -62.43 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.268 0.556 . . . . 10.0 110.085 176.618 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -155.28 153.69 30.97 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.166 -0.925 . . . . 10.0 109.954 -175.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.06 81.18 4.21 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.108 177.191 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -70.61 149.57 61.7 Favored 'Trans proline' 0 N--CA 1.444 -1.393 0 C-N-CA 121.295 1.33 . . . . 10.0 110.14 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.78 -23.28 62.36 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.649 -0.705 . . . . 10.0 112.265 175.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--O 1.246 0.877 0 C-N-CA 127.012 2.125 . . . . 10.0 111.887 177.812 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.98 -0.533 . . . . 10.0 111.945 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -46.61 -33.0 3.83 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.804 1.039 . . . . 10.0 113.804 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -87.08 -44.82 11.26 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 125.578 1.551 . . . . 10.0 109.804 174.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -54.79 -28.74 51.27 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.905 1.684 . . . . 10.0 111.622 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.5 -40.08 51.2 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 123.026 0.53 . . . . 10.0 110.845 174.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.0 -43.42 78.91 Favored 'General case' 0 C--O 1.196 -1.73 0 O-C-N 121.235 -0.916 . . . . 10.0 109.73 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -61.74 -52.53 63.86 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 120.839 1.654 . . . . 10.0 112.294 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -61.23 -53.23 59.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.813 1.292 . . . . 10.0 110.447 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -64.53 -44.13 91.81 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 124.087 0.955 . . . . 10.0 110.914 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -55.85 -46.47 78.19 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 108.288 -1.004 . . . . 10.0 108.288 173.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -54.6 -39.46 67.9 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 119.79 1.177 . . . . 10.0 112.368 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -61.11 2.64 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 123.519 0.728 . . . . 10.0 111.87 173.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -66.61 -10.01 41.35 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.791 1.282 . . . . 10.0 112.168 173.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.2 t -83.55 -62.57 1.55 Allowed 'General case' 0 N--CA 1.437 -1.097 0 O-C-N 118.903 -2.373 . . . . 10.0 108.551 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -26.63 9.36 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 124.273 1.029 . . . . 10.0 111.695 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.02 -37.34 44.61 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.693 1.197 . . . . 10.0 112.455 170.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -12.96 4.93 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.289 -0.882 . . . . 10.0 112.828 174.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.05 7.77 87.41 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 127.188 2.328 . . . . 10.0 111.767 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -69.91 177.73 3.0 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 123.111 1.434 . . . . 10.0 111.769 174.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.66 156.98 35.52 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.87 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.38 -56.68 18.99 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 123.764 0.826 . . . . 10.0 111.543 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.09 -58.14 6.87 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.903 1.281 . . . . 10.0 111.22 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -56.24 -38.35 70.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 121.535 -0.728 . . . . 10.0 110.681 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -61.67 -37.65 84.86 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 117.634 -1.174 . . . . 10.0 111.618 174.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -65.53 0.67 Allowed 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 125.903 1.681 . . . . 10.0 111.125 175.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -25.1 6.43 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.624 0.77 . . . . 10.0 112.601 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.87 -63.87 1.26 Allowed 'General case' 0 C--O 1.205 -1.274 0 CA-C-O 115.557 -2.163 . . . . 10.0 112.296 174.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.9 m -44.7 -29.02 0.69 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.576 1.95 . . . . 10.0 112.673 173.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -61.27 -63.24 1.35 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.11 1.364 . . . . 10.0 110.812 173.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -72.68 -17.94 61.59 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 118.25 -0.881 . . . . 10.0 111.625 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -58.06 -69.46 0.18 Allowed 'General case' 0 C--O 1.233 0.225 0 C-N-CA 125.587 1.555 . . . . 10.0 109.647 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 N--CA 1.447 -0.619 0 CA-C-O 121.75 0.786 . . . . 10.0 109.579 -178.513 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 114.287 1.217 . . . . 10.0 114.287 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -46.81 -33.33 4.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.29 1.036 . . . . 10.0 112.369 174.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -92.4 -39.69 11.3 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 126.35 1.86 . . . . 10.0 110.451 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -53.19 -33.65 53.59 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 125.199 1.4 . . . . 10.0 110.449 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.8 -43.54 65.48 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 123.116 0.566 . . . . 10.0 111.073 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -44.01 91.89 Favored 'General case' 0 C--O 1.198 -1.614 0 CA-C-O 118.431 -0.795 . . . . 10.0 110.53 176.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -61.43 -52.45 64.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 120.444 1.474 . . . . 10.0 112.316 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -61.55 -53.54 55.04 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.995 0.918 . . . . 10.0 110.081 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.3 m -63.98 -43.81 94.59 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.965 1.306 . . . . 10.0 111.033 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.0 -48.22 78.99 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 107.978 -1.119 . . . . 10.0 107.978 173.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 16' ' ' CYS . 10.3 t-80 -52.97 -37.62 61.38 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 119.613 1.097 . . . . 10.0 112.763 177.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -56.19 -64.34 0.89 Allowed 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 124.282 1.033 . . . . 10.0 111.691 173.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -66.21 -8.71 26.09 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 122.434 1.111 . . . . 10.0 112.736 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . 23.6 t -85.59 -60.0 2.15 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 119.623 -1.923 . . . . 10.0 109.598 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -25.12 10.87 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.658 1.183 . . . . 10.0 112.188 173.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.98 -36.51 49.89 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.63 1.172 . . . . 10.0 111.984 170.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -11.45 4.6 Favored 'General case' 0 C--N 1.342 0.258 0 O-C-N 120.997 -1.064 . . . . 10.0 113.355 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.37 7.72 87.98 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 127.262 2.363 . . . . 10.0 111.764 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -72.48 177.05 4.87 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 123.737 1.732 . . . . 10.0 111.717 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.46 149.81 23.98 Favored Glycine 0 C--N 1.333 0.373 0 CA-C-N 114.893 -1.049 . . . . 10.0 111.389 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -51.88 -43.64 63.38 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 117.943 -1.027 . . . . 10.0 112.276 177.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -60.31 -60.33 3.99 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.724 1.61 . . . . 10.0 110.627 -176.146 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.405 ' N ' HG22 ' A' ' 24' ' ' THR . 39.9 t80 -56.21 -39.48 72.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 121.868 -0.52 . . . . 10.0 110.404 175.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -33.68 76.02 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-O 117.822 -1.085 . . . . 10.0 111.775 175.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.07 -63.11 1.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 125.001 1.32 . . . . 10.0 109.666 177.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.8 ttm -55.76 -21.65 20.1 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.226 0.61 . . . . 10.0 112.488 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -86.76 -62.94 1.39 Allowed 'General case' 0 C--O 1.209 -1.029 0 CA-C-O 115.77 -2.062 . . . . 10.0 111.62 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 55.9 m -45.44 -29.73 1.19 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 127.707 2.403 . . . . 10.0 112.545 173.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -59.03 -66.18 0.55 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.441 1.096 . . . . 10.0 109.638 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -72.49 -14.8 61.75 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.256 -0.903 . . . . 10.0 112.731 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 4.6 t70 -60.34 -71.88 0.12 Allowed 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 126.039 1.736 . . . . 10.0 108.718 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.2 m . . . . . 0 N--CA 1.446 -0.664 0 N-CA-C 109.692 -0.485 . . . . 10.0 109.692 178.668 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.498 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -32.1 2.37 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.959 0.885 . . . . 10.0 113.087 175.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -89.76 -42.57 11.22 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 125.199 1.4 . . . . 10.0 109.526 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -30.32 65.52 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.423 1.011 . . . . 10.0 110.959 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -75.8 -38.3 58.36 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 123.346 0.658 . . . . 10.0 112.081 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -44.27 76.66 Favored 'General case' 0 C--O 1.205 -1.278 0 C-N-CA 120.143 -0.623 . . . . 10.0 111.204 175.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -60.85 -52.09 66.53 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 123.758 0.823 . . . . 10.0 112.441 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -60.97 -53.47 56.86 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 122.275 1.036 . . . . 10.0 110.351 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.0 m -64.58 -45.12 88.39 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 124.353 1.061 . . . . 10.0 110.704 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.6 t -55.63 -48.08 75.54 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 108.618 -0.882 . . . . 10.0 108.618 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.466 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 4.4 t-80 -51.35 -40.3 58.84 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 121.662 -0.649 . . . . 10.0 112.748 176.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -66.97 0.29 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 118.664 -0.684 . . . . 10.0 111.829 173.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -64.33 -9.82 20.27 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.246 1.022 . . . . 10.0 112.317 175.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 9.9 t -83.95 -61.76 1.74 Allowed 'General case' 0 C--O 1.218 -0.57 0 O-C-N 120.6 -1.313 . . . . 10.0 110.039 178.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.02 -24.66 3.94 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.633 1.173 . . . . 10.0 111.975 174.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.03 -32.57 34.86 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.531 1.132 . . . . 10.0 110.978 171.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -61.34 -10.09 6.52 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 121.102 -0.999 . . . . 10.0 112.519 176.192 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.8 8.44 87.48 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 125.912 1.72 . . . . 10.0 111.631 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -76.19 178.79 6.14 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 123.376 1.56 . . . . 10.0 111.039 175.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.49 154.63 33.07 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 114.588 -1.187 . . . . 10.0 111.737 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.466 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 48.4 p90 -54.8 -52.61 62.11 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 114.642 -0.779 . . . . 10.0 111.02 176.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.429 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -54.2 -58.83 5.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 122.237 1.018 . . . . 10.0 111.814 -175.226 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.417 ' N ' HG22 ' A' ' 24' ' ' THR . 39.7 t80 -51.77 -47.01 64.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.193 -0.912 . . . . 10.0 110.951 177.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.15 -34.39 77.51 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-O 118.456 -0.783 . . . . 10.0 112.13 175.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -59.1 5.84 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 125.376 1.47 . . . . 10.0 108.818 177.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 ttt -60.77 -14.62 22.55 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.584 0.707 . . . . 10.0 112.253 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.49 -62.96 1.29 Allowed 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 118.267 -0.873 . . . . 10.0 112.406 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.451 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 57.8 m -45.06 -29.81 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 126.512 1.925 . . . . 10.0 111.806 171.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -58.45 -63.27 1.34 Allowed 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.838 173.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -70.49 -22.07 62.7 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.757 0.423 . . . . 10.0 111.636 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.451 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 14.3 t70 -56.76 -72.97 0.07 Allowed 'General case' 0 C--O 1.236 0.373 0 O-C-N 120.619 -1.301 . . . . 10.0 110.43 176.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 121.5 0.667 . . . . 10.0 110.322 179.785 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.654 0 CA-C-O 118.55 -0.738 . . . . 10.0 110.75 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -53.77 -27.66 30.24 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 125.029 1.332 . . . . 10.0 112.178 177.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -83.32 -47.7 11.2 Favored 'General case' 0 C--O 1.215 -0.732 0 C-N-CA 125.366 1.466 . . . . 10.0 112.556 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -57.81 -29.65 65.07 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 123.239 0.616 . . . . 10.0 111.721 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -39.05 47.41 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 124.508 1.123 . . . . 10.0 110.681 175.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -41.21 73.33 Favored 'General case' 0 C--O 1.197 -1.709 0 CA-C-N 119.851 1.205 . . . . 10.0 109.15 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -62.54 -52.45 63.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 121.73 2.059 . . . . 10.0 112.052 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -62.1 -51.45 67.87 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 122.492 1.139 . . . . 10.0 110.231 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.7 m -66.65 -41.63 87.92 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.227 1.011 . . . . 10.0 111.862 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -58.65 -45.15 89.94 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 172.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.473 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 3.2 t-80 -56.52 -36.83 69.66 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 121.025 1.738 . . . . 10.0 113.155 176.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -60.14 4.16 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 117.698 -1.144 . . . . 10.0 112.458 172.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -69.39 -8.02 42.84 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 122.759 1.266 . . . . 10.0 112.784 173.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.0 t -85.43 -60.84 1.91 Allowed 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 119.009 -2.307 . . . . 10.0 108.96 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -24.92 31.19 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 118.03 -0.986 . . . . 10.0 112.213 175.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -50.26 -38.99 43.65 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.317 1.447 . . . . 10.0 112.73 168.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -11.45 3.15 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 113.682 0.993 . . . . 10.0 113.682 173.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.0 7.37 88.66 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 127.437 2.446 . . . . 10.0 111.742 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -69.32 176.19 3.5 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 123.469 1.604 . . . . 10.0 112.275 173.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.96 158.39 36.55 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 114.855 -1.066 . . . . 10.0 112.296 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -61.66 -54.46 42.47 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 125.465 1.506 . . . . 10.0 112.897 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.51 -56.03 18.0 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.083 1.753 . . . . 10.0 111.443 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -57.13 -41.36 78.93 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.722 -0.611 . . . . 10.0 110.805 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.473 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -61.82 -34.02 75.19 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 117.608 -1.187 . . . . 10.0 112.596 174.793 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -66.49 0.54 Allowed 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 126.002 1.721 . . . . 10.0 109.896 176.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -27.07 7.97 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.462 1.028 . . . . 10.0 112.618 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -80.62 -64.17 1.25 Allowed 'General case' 0 C--O 1.209 -1.062 0 CA-C-O 115.828 -2.034 . . . . 10.0 111.469 174.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 67.3 m -47.51 -29.55 2.86 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.533 1.933 . . . . 10.0 113.864 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -59.31 -64.22 1.02 Allowed 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 126.951 2.101 . . . . 10.0 110.603 172.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -71.81 -18.75 62.07 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.012 -0.995 . . . . 10.0 112.031 176.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -60.77 -71.41 0.14 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 118.409 -2.682 . . . . 10.0 109.162 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 N--CA 1.443 -0.8 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.893 179.61 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.762 0 N-CA-C 113.067 0.766 . . . . 10.0 113.067 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -47.31 -34.74 7.07 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.704 1.372 . . . . 10.0 114.704 171.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -87.43 -43.11 12.32 Favored 'General case' 0 C--O 1.212 -0.881 0 C-N-CA 127.053 2.141 . . . . 10.0 109.698 173.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -57.17 -31.75 65.71 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 121.095 1.77 . . . . 10.0 112.412 177.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.26 -39.17 63.19 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.335 1.054 . . . . 10.0 111.779 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -43.81 77.75 Favored 'General case' 0 C--O 1.199 -1.567 0 CA-C-N 119.499 1.045 . . . . 10.0 110.436 175.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -61.41 -52.85 62.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 120.865 1.666 . . . . 10.0 112.134 177.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -60.01 -52.8 63.83 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 122.613 1.197 . . . . 10.0 110.791 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.3 m -66.29 -44.91 82.2 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.53 1.132 . . . . 10.0 110.886 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.2 t -56.65 -45.03 81.85 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 173.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.401 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 4.0 t-80 -55.39 -36.69 66.67 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 123.921 0.888 . . . . 10.0 113.214 175.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -65.76 0.52 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.944 0.793 . . . . 10.0 112.695 171.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -64.92 -10.43 28.89 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 122.596 1.189 . . . . 10.0 113.081 173.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.1 t -83.9 -60.12 2.21 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 119.492 -2.005 . . . . 10.0 111.605 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.11 -24.27 17.08 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 117.207 -1.377 . . . . 10.0 112.489 173.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -50.9 -37.63 44.95 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.522 1.529 . . . . 10.0 112.238 167.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -11.04 3.06 Favored 'General case' 0 C--N 1.342 0.247 0 O-C-N 120.827 -1.171 . . . . 10.0 113.994 173.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.79 15.43 79.32 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 126.974 2.226 . . . . 10.0 111.339 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -77.37 174.94 10.24 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 123.0 1.381 . . . . 10.0 112.151 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.55 145.51 30.41 Favored Glycine 0 C--N 1.329 0.18 0 CA-C-N 115.32 -0.855 . . . . 10.0 111.569 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.401 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 8.9 p90 -46.39 -52.38 13.07 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 124.902 1.281 . . . . 10.0 110.429 174.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -57.44 12.39 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.02 1.328 . . . . 10.0 111.991 -175.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -55.57 -50.5 69.91 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.795 -0.566 . . . . 10.0 110.355 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.6 -32.61 69.15 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-O 117.354 -1.307 . . . . 10.0 113.273 174.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -66.49 0.54 Allowed 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 128.166 2.586 . . . . 10.0 108.839 176.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.5 mtp -54.01 -29.86 45.19 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.475 0.58 . . . . 10.0 112.547 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -76.42 -59.78 2.62 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 116.868 -1.539 . . . . 10.0 112.333 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.4 m -47.1 -28.89 1.92 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 126.632 1.973 . . . . 10.0 113.41 170.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -59.6 -63.21 1.38 Allowed 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 125.114 1.365 . . . . 10.0 110.937 172.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -71.25 -21.99 62.04 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.172 0.589 . . . . 10.0 111.856 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -56.2 -71.23 0.09 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 119.676 -1.89 . . . . 10.0 111.287 174.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 CA--C 1.531 0.24 0 CA-C-O 122.238 1.018 . . . . 10.0 110.779 -178.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.574 0 CA-C-O 119.05 -0.5 . . . . 10.0 111.882 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -44.93 -33.1 1.86 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.466 0.913 . . . . 10.0 113.466 174.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -89.46 -42.37 11.52 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 125.561 1.544 . . . . 10.0 110.589 174.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -56.76 -29.9 63.06 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 120.189 1.359 . . . . 10.0 111.59 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -78.37 -34.74 48.07 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 123.931 0.892 . . . . 10.0 111.17 174.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.54 -43.19 66.86 Favored 'General case' 0 C--O 1.197 -1.677 0 CA-C-O 118.2 -0.905 . . . . 10.0 110.045 175.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -62.49 -51.65 66.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 120.314 1.416 . . . . 10.0 111.526 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -61.3 -52.39 64.9 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 122.407 1.099 . . . . 10.0 110.211 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.4 m -64.69 -44.96 88.63 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.235 -0.893 . . . . 10.0 110.819 -178.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.1 t -56.61 -46.16 81.07 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.786 -0.82 . . . . 10.0 108.786 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -53.31 -40.42 64.77 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 118.304 -0.855 . . . . 10.0 111.298 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -66.48 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 118.939 0.79 . . . . 10.0 111.725 174.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.76 -13.19 30.09 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-O 123.205 1.479 . . . . 10.0 112.404 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.3 t -81.05 -64.78 1.11 Allowed 'General case' 0 N--CA 1.439 -1.015 0 O-C-N 119.376 -2.077 . . . . 10.0 110.223 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -24.78 5.18 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 125.078 1.351 . . . . 10.0 111.23 175.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.47 -36.76 45.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.236 1.014 . . . . 10.0 111.736 170.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -12.71 4.3 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.257 -0.902 . . . . 10.0 112.966 175.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.52 15.57 77.81 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 125.67 1.605 . . . . 10.0 110.123 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -78.9 178.91 7.61 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 122.584 1.183 . . . . 10.0 111.478 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.92 150.3 35.72 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.382 -0.826 . . . . 10.0 111.887 174.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -57.14 -56.06 26.65 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 117.824 -1.084 . . . . 10.0 110.533 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -49.23 -59.29 3.8 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 124.445 1.098 . . . . 10.0 111.192 -179.704 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.448 ' N ' HG22 ' A' ' 24' ' ' THR . 27.0 t80 -54.11 -49.46 69.07 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.749 -0.594 . . . . 10.0 110.126 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -33.71 70.46 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 118.185 -0.912 . . . . 10.0 111.399 176.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -65.57 0.66 Allowed 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 126.211 1.804 . . . . 10.0 109.797 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -30.28 40.13 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.35 0.595 . . . . 10.0 111.963 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -62.17 1.67 Allowed 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 116.158 -1.877 . . . . 10.0 111.794 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 52.7 m -46.49 -28.51 1.42 Allowed 'General case' 0 CA--C 1.535 0.394 0 O-C-N 125.335 1.647 . . . . 10.0 111.349 173.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.86 -62.0 2.2 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 123.94 0.896 . . . . 10.0 110.741 174.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -70.93 -25.0 62.56 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 118.506 -0.759 . . . . 10.0 111.81 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.417 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 23.1 t70 -54.49 -73.02 0.05 Allowed 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.962 1.305 . . . . 10.0 110.111 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.961 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.934 0 CA-C-O 118.806 -0.616 . . . . 10.0 111.57 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -30.87 4.98 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 176.171 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.422 ' CE2' ' O ' ' A' ' 34' ' ' CYS . 20.5 t80 -86.2 -45.07 11.66 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.332 1.053 . . . . 10.0 112.996 173.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -55.37 -28.86 56.64 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 118.957 0.799 . . . . 10.0 111.577 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -78.5 -36.93 44.3 Favored 'General case' 0 C--O 1.21 -0.985 0 C-N-CA 123.665 0.786 . . . . 10.0 110.546 174.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -70.0 -42.78 72.58 Favored 'General case' 0 C--O 1.199 -1.561 0 CA-C-N 119.83 1.195 . . . . 10.0 110.144 176.117 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.422 ' CE1' ' HG2' ' A' ' 27' ' ' GLU . 26.0 t80 -62.91 -52.05 64.55 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 120.884 1.674 . . . . 10.0 111.394 178.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -61.47 -52.14 65.76 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 122.322 1.058 . . . . 10.0 110.036 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.4 m -64.85 -45.03 87.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.632 0.773 . . . . 10.0 110.901 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 42.2 t -57.29 -45.36 84.2 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.454 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.7 t-80 -54.4 -39.25 67.07 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 117.856 -1.068 . . . . 10.0 110.802 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -55.22 -69.76 0.12 Allowed 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 118.05 -0.976 . . . . 10.0 111.818 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.91 -17.13 35.02 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 123.033 1.396 . . . . 10.0 112.56 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.2 t -77.28 -70.56 0.46 Allowed 'General case' 0 N--CA 1.435 -1.22 0 O-C-N 120.025 -1.672 . . . . 10.0 109.701 176.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -24.25 9.31 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 125.051 1.34 . . . . 10.0 110.942 177.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -51.7 -36.31 46.17 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.655 1.182 . . . . 10.0 111.286 171.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -13.52 5.17 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 120.836 -1.165 . . . . 10.0 112.965 175.005 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.81 17.71 65.08 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 126.469 1.985 . . . . 10.0 110.167 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -78.53 179.01 7.33 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 122.627 1.203 . . . . 10.0 111.745 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.5 151.04 37.46 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.85 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -57.41 -57.54 12.22 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 117.253 -1.356 . . . . 10.0 111.118 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -48.99 -59.11 3.89 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 125.309 1.631 . . . . 10.0 110.593 179.82 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.41 ' N ' HG22 ' A' ' 24' ' ' THR . 42.7 t80 -54.05 -47.11 71.95 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 122.847 0.459 . . . . 10.0 110.463 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.454 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -59.27 -36.82 76.22 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-O 118.243 -0.884 . . . . 10.0 111.669 175.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -67.4 -67.52 0.45 Allowed 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 126.298 1.839 . . . . 10.0 110.843 177.199 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mmt -47.45 -28.81 2.31 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 124.487 1.115 . . . . 10.0 112.385 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -66.58 0.86 Allowed 'General case' 0 CA--C 1.498 -1.037 0 CA-C-O 115.788 -2.053 . . . . 10.0 111.596 174.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 59.0 m -45.07 -27.63 0.6 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.155 1.382 . . . . 10.0 112.119 176.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -60.46 -62.52 1.8 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.778 1.631 . . . . 10.0 110.352 174.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -73.5 -25.3 60.37 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.457 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.06 -71.06 0.08 Allowed 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.749 1.22 . . . . 10.0 109.933 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.422 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 1.8 t . . . . . 0 N--CA 1.442 -0.851 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.656 0 N-CA-C 112.419 0.526 . . . . 10.0 112.419 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -48.08 -31.74 5.91 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.432 0.901 . . . . 10.0 113.432 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -87.71 -43.06 12.2 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 125.577 1.551 . . . . 10.0 110.686 174.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -35.44 54.66 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 120.656 1.571 . . . . 10.0 110.148 176.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.58 -38.56 62.62 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 117.731 -1.128 . . . . 10.0 110.229 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.86 -43.04 76.22 Favored 'General case' 0 C--O 1.195 -1.764 0 CA-C-O 117.608 -1.187 . . . . 10.0 109.805 175.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 27' ' ' GLU . 26.3 t80 -62.42 -52.59 62.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 120.847 1.658 . . . . 10.0 111.578 178.086 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -61.18 -51.99 66.72 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 122.735 1.255 . . . . 10.0 110.224 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -65.2 -45.11 86.12 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.403 -0.817 . . . . 10.0 111.005 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.3 t -56.9 -46.49 81.9 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.688 -1.227 . . . . 10.0 107.688 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -54.27 -37.66 64.95 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 119.466 1.03 . . . . 10.0 111.542 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -69.87 0.14 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 117.906 -1.045 . . . . 10.0 112.267 173.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.53 -17.7 23.49 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 122.782 1.277 . . . . 10.0 112.421 175.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.1 t -78.38 -66.8 0.81 Allowed 'General case' 0 N--CA 1.438 -1.06 0 O-C-N 119.676 -1.89 . . . . 10.0 110.246 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -23.65 20.89 Favored 'General case' 0 C--O 1.225 -0.203 0 O-C-N 120.857 -1.152 . . . . 10.0 111.103 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -52.31 -36.48 53.32 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.995 1.318 . . . . 10.0 111.758 170.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -12.06 5.77 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 121.331 -0.856 . . . . 10.0 113.291 174.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.36 18.98 67.58 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 126.538 2.018 . . . . 10.0 110.702 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -78.21 177.38 8.43 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 122.609 1.195 . . . . 10.0 111.824 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.87 147.03 34.52 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.624 174.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -52.28 -58.91 5.18 Favored 'General case' 0 C--O 1.219 -0.502 0 C-N-CA 124.445 1.098 . . . . 10.0 111.189 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.02 -58.14 6.11 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 125.45 1.5 . . . . 10.0 110.781 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.46 -47.83 69.39 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 122.816 0.446 . . . . 10.0 110.591 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.54 -37.11 74.98 Favored 'General case' 0 N--CA 1.433 -1.277 0 O-C-N 123.672 0.608 . . . . 10.0 112.009 176.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 1.2 mt-10 -67.66 -67.07 0.49 Allowed 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 125.986 1.714 . . . . 10.0 111.625 176.093 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.32 -28.93 3.44 Favored 'General case' 0 N--CA 1.461 0.103 0 C-N-CA 124.621 1.169 . . . . 10.0 111.995 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -80.35 -63.86 1.31 Allowed 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 114.753 -2.546 . . . . 10.0 111.931 174.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.6 m -44.74 -29.98 0.87 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.032 1.733 . . . . 10.0 112.55 175.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -57.44 -63.0 1.38 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.903 1.681 . . . . 10.0 110.727 173.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 m -74.25 -27.13 60.62 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.949 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -55.26 -66.15 0.46 Allowed 'General case' 0 C--O 1.233 0.208 0 C-N-CA 126.668 1.987 . . . . 10.0 109.524 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.45 -0.471 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.775 176.661 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 113.61 0.967 . . . . 10.0 113.61 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -49.45 -33.24 13.71 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.397 1.094 . . . . 10.0 113.217 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -87.72 -47.25 8.8 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 126.873 2.069 . . . . 10.0 111.144 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -39.61 58.49 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.375 1.443 . . . . 10.0 110.796 175.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -70.71 -42.65 70.32 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 124.89 1.276 . . . . 10.0 111.04 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -44.81 90.43 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-O 118.82 -0.61 . . . . 10.0 110.866 173.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -60.95 -54.5 44.26 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 125.459 1.503 . . . . 10.0 112.477 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.54 -50.42 73.61 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.828 1.251 . . . . 10.0 111.309 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.7 m -69.08 -42.2 76.51 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.29 1.436 . . . . 10.0 112.346 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.4 t -58.95 -44.38 91.42 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 108.728 -0.842 . . . . 10.0 108.728 169.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 17' ' ' SER . 5.8 t-80 -56.75 -31.3 64.44 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.075 -1.641 . . . . 10.0 114.304 176.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.43 -68.88 0.26 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.225 1.81 . . . . 10.0 112.197 170.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -62.13 -14.84 41.07 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 122.733 1.254 . . . . 10.0 113.795 175.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.4 t -81.27 -60.02 2.43 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 119.638 -1.914 . . . . 10.0 112.654 173.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -59.75 -24.21 63.87 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.831 -1.168 . . . . 10.0 112.251 174.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -50.15 -41.19 48.55 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 126.451 1.9 . . . . 10.0 111.977 166.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -9.03 1.07 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.856 1.428 . . . . 10.0 114.856 173.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.75 17.73 76.78 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 128.088 2.756 . . . . 10.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -77.03 170.41 16.58 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.539 1.162 . . . . 10.0 112.105 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.87 146.07 42.67 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 115.367 -0.833 . . . . 10.0 111.61 173.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -50.2 -57.88 6.8 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.523 1.529 . . . . 10.0 112.218 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 m -52.94 -55.41 23.64 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 127.34 2.256 . . . . 10.0 111.897 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -54.12 -49.36 69.35 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 122.754 0.422 . . . . 10.0 110.538 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -36.71 75.68 Favored 'General case' 0 C--O 1.205 -1.25 0 CA-C-O 117.875 -1.06 . . . . 10.0 113.492 175.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.18 -69.48 0.29 Allowed 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 126.933 2.093 . . . . 10.0 111.338 174.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -30.46 2.26 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.201 1.8 . . . . 10.0 113.209 176.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -62.83 1.54 Allowed 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 117.151 -1.404 . . . . 10.0 111.918 170.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 67.0 m -46.78 -29.05 1.74 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.689 1.996 . . . . 10.0 115.212 175.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -57.89 -65.53 0.62 Allowed 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 128.356 2.662 . . . . 10.0 110.414 169.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -72.19 -26.05 61.91 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 118.19 -0.91 . . . . 10.0 112.94 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -53.54 -69.99 0.1 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 128.268 2.627 . . . . 10.0 110.997 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.44 -0.936 0 N-CA-C 107.816 -1.179 . . . . 10.0 107.816 176.863 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.626 0 CA-C-O 118.199 -0.905 . . . . 10.0 112.34 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.16 -32.09 2.77 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 174.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.437 ' CE2' ' O ' ' A' ' 34' ' ' CYS . 32.4 t80 -88.19 -43.76 11.38 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 125.058 1.343 . . . . 10.0 112.98 173.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -55.82 -29.68 60.17 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 119.186 0.903 . . . . 10.0 111.316 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.54 -37.93 55.87 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 118.019 -0.991 . . . . 10.0 111.067 174.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -43.33 71.88 Favored 'General case' 0 C--O 1.196 -1.717 0 CA-C-N 119.581 1.082 . . . . 10.0 109.901 176.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -61.79 -51.82 66.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 120.813 1.642 . . . . 10.0 111.664 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -61.76 -52.78 62.81 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 122.972 1.368 . . . . 10.0 109.899 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.9 m -64.45 -44.5 90.91 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.902 -1.044 . . . . 10.0 110.951 -178.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.6 t -57.11 -46.89 82.26 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 107.767 -1.197 . . . . 10.0 107.767 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.476 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 4.6 t-80 -52.95 -39.53 62.98 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 119.222 0.919 . . . . 10.0 111.724 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -53.7 -65.74 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 118.04 -0.981 . . . . 10.0 112.358 174.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.62 -12.87 25.79 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 124.478 1.111 . . . . 10.0 112.539 173.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.3 t -83.07 -60.95 1.99 Allowed 'General case' 0 N--CA 1.439 -0.996 0 O-C-N 119.597 -1.939 . . . . 10.0 109.45 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -25.54 5.83 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 125.686 1.594 . . . . 10.0 111.705 174.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.78 -32.89 21.23 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.98 0.912 . . . . 10.0 112.536 170.028 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -11.87 7.28 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.528 0.731 . . . . 10.0 112.617 174.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.8 7.29 88.21 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 126.775 2.131 . . . . 10.0 111.043 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -73.72 179.04 4.39 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 123.475 1.607 . . . . 10.0 111.79 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.16 155.03 32.38 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 114.882 -1.054 . . . . 10.0 111.73 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.476 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 43.4 p90 -57.38 -48.47 78.97 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 117.303 -1.332 . . . . 10.0 111.054 176.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.415 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -59.3 -55.2 37.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 122.262 1.029 . . . . 10.0 110.13 -174.699 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -55.36 -47.44 75.76 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 121.571 -0.705 . . . . 10.0 110.353 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.63 -32.88 73.98 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-O 118.336 -0.84 . . . . 10.0 111.635 175.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -59.2 5.76 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 126.227 1.811 . . . . 10.0 108.85 177.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.4 mtt -62.52 -11.74 18.22 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 113.159 0.8 . . . . 10.0 113.159 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.32 -64.15 1.11 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 117.354 -1.308 . . . . 10.0 112.387 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.1 m -44.59 -30.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 127.021 2.128 . . . . 10.0 111.532 171.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -58.98 -62.05 2.17 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 123.642 0.777 . . . . 10.0 110.941 172.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -68.3 -27.39 66.26 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-O 118.24 -0.886 . . . . 10.0 111.614 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -54.72 -75.18 0.03 OUTLIER 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.43 1.092 . . . . 10.0 110.015 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.437 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 6.0 t . . . . . 0 N--CA 1.44 -0.962 0 N-CA-C 105.463 -2.051 . . . . 10.0 105.463 -175.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.861 -0.59 . . . . 10.0 109.824 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -54.59 -24.27 20.51 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 123.812 0.845 . . . . 10.0 111.653 178.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -90.77 -44.51 9.4 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.547 1.139 . . . . 10.0 112.043 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -59.25 -27.77 66.1 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 118.455 0.57 . . . . 10.0 111.246 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.63 -35.35 39.56 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 117.759 -1.115 . . . . 10.0 110.845 175.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.77 -41.63 64.84 Favored 'General case' 0 C--O 1.196 -1.731 0 CA-C-N 119.335 0.971 . . . . 10.0 109.602 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.415 ' CE1' ' HG2' ' A' ' 27' ' ' GLU . 24.7 t80 -63.33 -51.16 67.13 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 120.388 1.449 . . . . 10.0 111.05 178.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -63.09 -50.37 70.81 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 122.333 1.064 . . . . 10.0 110.394 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -65.75 -44.67 85.23 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.393 -0.822 . . . . 10.0 110.889 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.569 ' HG ' ' HG ' ' A' ' 30' ' ' CYS . 47.7 t -57.48 -46.37 83.77 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 107.778 -1.193 . . . . 10.0 107.778 175.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -53.81 -39.08 65.2 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 117.791 -1.099 . . . . 10.0 111.011 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.65 -70.82 0.1 Allowed 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 117.825 -1.083 . . . . 10.0 111.901 174.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.03 -17.68 27.61 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 123.711 1.72 . . . . 10.0 112.133 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.2 t -77.26 -69.14 0.55 Allowed 'General case' 0 N--CA 1.435 -1.208 0 O-C-N 119.265 -2.147 . . . . 10.0 109.953 177.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -24.66 11.56 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 124.769 1.228 . . . . 10.0 110.879 177.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.88 -38.92 57.98 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.444 1.098 . . . . 10.0 111.369 171.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -12.99 3.94 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 121.102 -0.999 . . . . 10.0 113.05 175.16 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.95 20.75 67.17 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 125.938 1.732 . . . . 10.0 109.877 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -76.18 178.92 6.04 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.871 1.32 . . . . 10.0 111.642 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.08 132.07 11.83 Favored Glycine 0 C--O 1.223 -0.571 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 175.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.01 -61.49 0.86 Allowed 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 125.281 1.432 . . . . 10.0 113.065 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.81 -56.69 6.87 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 125.215 1.406 . . . . 10.0 110.691 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.8 -45.77 74.39 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 123.031 0.533 . . . . 10.0 110.882 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -58.5 -37.76 76.25 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-O 118.472 -0.775 . . . . 10.0 111.739 175.085 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -67.49 -67.75 0.43 Allowed 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 125.339 1.456 . . . . 10.0 111.588 176.273 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.88 -29.28 1.92 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.342 1.057 . . . . 10.0 112.286 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -64.1 1.26 Allowed 'General case' 0 C--O 1.212 -0.885 0 CA-C-O 115.954 -1.974 . . . . 10.0 112.174 174.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.569 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 54.9 m -45.63 -27.9 0.88 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.135 1.374 . . . . 10.0 112.234 175.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -61.64 -61.91 2.19 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.034 1.334 . . . . 10.0 110.921 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.07 -22.01 60.67 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.469 -0.787 . . . . 10.0 111.741 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -54.34 -73.48 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.543 1.537 . . . . 10.0 109.651 178.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 N--CA 1.438 -1.031 0 N-CA-C 107.685 -1.228 . . . . 10.0 107.685 -179.706 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.499 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.29 -25.42 23.55 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.058 0.762 . . . . 10.0 113.058 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -89.94 -44.68 9.72 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 125.275 1.43 . . . . 10.0 111.188 174.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -29.98 67.89 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 119.027 0.831 . . . . 10.0 111.791 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.68 -37.77 59.26 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 117.872 -1.061 . . . . 10.0 111.161 174.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -43.31 71.04 Favored 'General case' 0 C--O 1.199 -1.589 0 CA-C-N 119.359 0.981 . . . . 10.0 109.899 176.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -61.43 -51.62 67.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 120.586 1.539 . . . . 10.0 111.72 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -62.3 -52.44 63.68 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 122.786 1.279 . . . . 10.0 110.314 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -64.21 -45.21 89.27 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.014 -0.993 . . . . 10.0 110.759 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -56.02 -47.57 77.55 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 124.544 1.138 . . . . 10.0 108.019 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.471 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 5.7 t-80 -52.71 -38.94 61.52 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 118.944 0.793 . . . . 10.0 112.06 177.009 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -54.28 -65.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 118.547 -0.74 . . . . 10.0 112.381 173.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -64.14 -10.56 23.57 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 122.62 1.2 . . . . 10.0 112.408 173.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 8.5 t -84.06 -60.19 2.18 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 119.247 -2.158 . . . . 10.0 110.069 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -24.89 8.84 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 125.691 1.596 . . . . 10.0 111.956 174.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -51.28 -33.72 29.77 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.636 1.175 . . . . 10.0 112.346 169.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -60.18 -11.1 5.38 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 121.422 -0.799 . . . . 10.0 113.016 174.406 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.28 7.69 88.09 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 126.499 1.999 . . . . 10.0 111.385 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -73.59 178.73 4.51 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 123.524 1.63 . . . . 10.0 111.754 175.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.37 154.35 31.35 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 114.663 -1.153 . . . . 10.0 111.707 175.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.471 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 42.3 p90 -55.86 -49.3 73.71 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-O 117.373 -1.299 . . . . 10.0 110.957 176.249 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -55.07 39.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.383 1.087 . . . . 10.0 110.769 -174.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -55.1 -46.69 75.55 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 121.59 -0.694 . . . . 10.0 110.6 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -33.7 76.05 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-O 117.985 -1.007 . . . . 10.0 112.197 175.107 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -59.8 4.85 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 125.928 1.691 . . . . 10.0 108.45 176.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.3 mtt -61.93 -10.7 10.21 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.564 0.949 . . . . 10.0 113.564 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.8 -63.17 1.18 Allowed 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 116.551 -1.69 . . . . 10.0 112.453 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 59.5 m -45.72 -28.96 1.14 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.457 2.303 . . . . 10.0 112.114 171.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -57.75 -61.65 2.37 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-O 122.624 1.202 . . . . 10.0 111.089 172.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -70.22 -27.23 64.31 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 117.669 -1.158 . . . . 10.0 111.247 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 5.6 t70 -53.45 -73.0 0.05 OUTLIER 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.489 1.116 . . . . 10.0 110.541 176.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.1 m . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 107.938 -1.134 . . . . 10.0 107.938 -177.139 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.301 0 N-CA-C 112.995 0.739 . . . . 10.0 112.995 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -47.02 -32.15 3.76 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.665 0.987 . . . . 10.0 113.665 174.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -90.97 -40.9 11.42 Favored 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 125.34 1.456 . . . . 10.0 109.212 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -35.9 59.97 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.782 1.628 . . . . 10.0 109.374 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.9 -40.86 65.19 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 123.812 0.695 . . . . 10.0 109.978 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.0 -45.29 82.08 Favored 'General case' 0 C--O 1.2 -1.526 0 O-C-N 121.743 -0.598 . . . . 10.0 110.42 176.168 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -60.58 -53.25 59.76 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 125.002 1.321 . . . . 10.0 112.255 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.36 -54.27 47.67 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 122.759 1.266 . . . . 10.0 110.373 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.4 m -63.28 -45.36 91.8 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 124.339 1.055 . . . . 10.0 110.743 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.51 ' HG ' ' HG ' ' A' ' 30' ' ' CYS . 46.9 t -55.75 -49.02 74.22 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.168 -1.049 . . . . 10.0 108.168 173.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -51.69 -38.17 53.86 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 119.091 0.86 . . . . 10.0 112.201 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -55.97 -68.39 0.21 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 123.727 0.811 . . . . 10.0 112.127 173.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -61.24 -14.2 24.16 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.499 1.142 . . . . 10.0 112.531 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.7 t -81.28 -66.1 0.93 Allowed 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 120.36 -1.462 . . . . 10.0 110.046 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -25.7 7.84 Favored 'General case' 0 C--O 1.224 -0.253 0 O-C-N 120.547 -1.346 . . . . 10.0 111.958 175.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -51.0 -37.52 45.59 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.999 1.32 . . . . 10.0 110.595 171.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.25 -11.9 4.68 Favored 'General case' 0 C--N 1.343 0.302 0 O-C-N 120.666 -1.271 . . . . 10.0 112.285 176.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.12 16.8 71.08 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 126.842 2.163 . . . . 10.0 111.182 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -79.4 176.91 9.26 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 122.675 1.226 . . . . 10.0 111.476 178.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.19 143.81 27.75 Favored Glycine 0 C--N 1.333 0.402 0 N-CA-C 111.013 -0.835 . . . . 10.0 111.013 174.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.427 ' CG ' ' N ' ' A' ' 24' ' ' THR . 11.5 p90 -48.41 -46.73 37.73 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 124.505 1.122 . . . . 10.0 112.071 175.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -58.1 -62.08 2.08 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 124.918 1.287 . . . . 10.0 111.773 -178.297 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.442 ' N ' HG22 ' A' ' 24' ' ' THR . 32.7 t80 -53.18 -44.51 67.96 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.549 176.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.2 -37.24 79.65 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 118.431 -0.795 . . . . 10.0 111.137 176.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.69 -66.94 0.48 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 126.194 1.798 . . . . 10.0 111.436 176.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.4 ttp -49.61 -27.35 4.45 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.937 0.895 . . . . 10.0 111.707 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.41 -63.19 1.45 Allowed 'General case' 0 C--O 1.21 -0.981 0 CA-C-O 116.384 -1.77 . . . . 10.0 111.394 174.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.51 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 44.6 m -44.1 -28.54 0.5 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.508 1.923 . . . . 10.0 111.915 176.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.1 -62.3 1.87 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 122.812 1.291 . . . . 10.0 110.065 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.38 -17.71 60.78 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.44 177.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -56.44 -68.73 0.19 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.09 1.356 . . . . 10.0 110.896 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 122.061 0.934 . . . . 10.0 110.554 179.008 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.758 0 CA-C-O 117.542 -1.218 . . . . 10.0 113.579 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -47.71 -32.66 6.03 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 114.004 1.112 . . . . 10.0 114.004 173.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -87.39 -43.31 12.2 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 125.446 1.498 . . . . 10.0 113.073 171.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -56.88 -30.1 63.58 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 120.762 1.619 . . . . 10.0 111.542 176.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -78.77 -38.42 38.65 Favored 'General case' 0 C--O 1.21 -0.979 0 C-N-CA 123.791 0.836 . . . . 10.0 110.316 174.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.25 -41.36 77.04 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-O 117.242 -1.361 . . . . 10.0 110.646 175.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.402 ' CE1' ' HG2' ' A' ' 27' ' ' GLU . 26.8 t80 -63.45 -52.01 63.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 121.29 1.859 . . . . 10.0 111.399 177.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.48 -51.38 68.92 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 122.081 0.943 . . . . 10.0 110.161 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.7 m -65.77 -44.6 85.37 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.739 0.816 . . . . 10.0 111.511 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.633 ' HG ' ' HG ' ' A' ' 30' ' ' CYS . 42.0 t -57.35 -46.87 82.88 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.405 -0.961 . . . . 10.0 108.405 174.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.457 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.6 t-80 -54.23 -37.45 64.63 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 117.548 -1.215 . . . . 10.0 111.823 176.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -56.15 -70.06 0.13 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 117.529 -1.224 . . . . 10.0 112.273 172.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.87 -17.63 25.75 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 123.738 1.732 . . . . 10.0 113.13 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.2 t -77.49 -67.06 0.76 Allowed 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 119.225 -2.172 . . . . 10.0 110.905 176.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -22.8 32.7 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-O 117.094 -1.432 . . . . 10.0 111.503 177.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -50.91 -41.26 58.42 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.952 1.301 . . . . 10.0 111.882 167.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -12.84 1.32 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 114.494 1.294 . . . . 10.0 114.494 174.258 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.03 20.43 67.69 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 127.024 2.25 . . . . 10.0 109.24 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -75.13 177.76 6.2 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 123.383 1.563 . . . . 10.0 112.239 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.04 131.65 12.63 Favored Glycine 0 C--O 1.224 -0.521 0 O-C-N 120.946 -1.096 . . . . 10.0 110.617 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.75 -56.95 2.04 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 126.103 1.761 . . . . 10.0 112.806 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -51.3 -58.04 7.26 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 125.913 1.685 . . . . 10.0 111.394 177.657 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.42 ' N ' HG22 ' A' ' 24' ' ' THR . 50.5 t80 -54.09 -45.2 71.75 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 123.12 0.568 . . . . 10.0 110.908 177.178 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -58.43 -38.48 77.55 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 118.125 -0.941 . . . . 10.0 112.842 174.39 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.402 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -66.45 -66.77 0.51 Allowed 'General case' 0 C--O 1.213 -0.856 0 CA-C-O 116.469 -1.729 . . . . 10.0 111.702 174.581 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -29.08 4.03 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.277 1.399 . . . . 10.0 113.055 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.18 -63.1 1.5 Allowed 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 113.69 -3.052 . . . . 10.0 113.051 172.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.633 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 66.3 m -46.9 -27.54 1.29 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.129 1.771 . . . . 10.0 113.174 173.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -61.06 -62.41 1.87 Allowed 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.465 1.506 . . . . 10.0 111.306 172.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -72.29 -24.05 61.28 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.013 -0.994 . . . . 10.0 112.161 177.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.436 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 20.2 t70 -55.65 -72.52 0.07 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.385 1.474 . . . . 10.0 109.578 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.443 -0.81 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.135 176.834 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.64 -0.695 . . . . 10.0 112.345 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -47.35 -33.0 5.35 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.819 1.044 . . . . 10.0 113.819 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -88.42 -42.55 12.09 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 126.3 1.84 . . . . 10.0 110.497 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -29.91 61.23 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.924 1.693 . . . . 10.0 111.654 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.12 -36.14 48.27 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 123.7 0.8 . . . . 10.0 111.063 174.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -70.33 -43.29 70.57 Favored 'General case' 0 C--O 1.196 -1.716 0 CA-C-N 119.298 0.954 . . . . 10.0 110.014 175.464 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -62.18 -51.9 65.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 120.943 1.701 . . . . 10.0 111.577 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.12 -52.6 64.21 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 122.071 0.939 . . . . 10.0 110.052 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.4 m -64.93 -45.6 85.15 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.536 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 8' ' ' CYS . 10.5 t -56.91 -45.27 82.77 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 124.414 1.086 . . . . 10.0 108.105 175.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.414 ' HA ' ' SG ' ' A' ' 30' ' ' CYS . 3.2 t-80 -53.68 -39.74 65.39 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 123.859 0.863 . . . . 10.0 111.852 174.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -64.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 119.152 0.887 . . . . 10.0 112.538 174.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -63.9 -11.83 31.43 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 122.554 1.169 . . . . 10.0 112.264 173.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.4 t -82.78 -62.21 1.66 Allowed 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 119.347 -2.095 . . . . 10.0 110.183 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.19 -25.04 8.16 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 125.152 1.381 . . . . 10.0 111.52 175.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -50.73 -36.36 36.04 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.022 0.929 . . . . 10.0 112.61 169.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -12.59 4.61 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.02 -1.05 . . . . 10.0 113.339 174.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.65 15.46 77.84 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 126.643 2.068 . . . . 10.0 110.437 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -78.12 177.97 7.92 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.625 1.202 . . . . 10.0 111.712 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.52 146.59 27.47 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.456 -0.793 . . . . 10.0 111.521 174.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.426 ' CG ' ' N ' ' A' ' 24' ' ' THR . 11.5 p90 -49.53 -47.9 48.6 Favored 'General case' 0 C--O 1.207 -1.145 0 CA-C-O 117.666 -1.159 . . . . 10.0 110.687 176.013 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -59.13 -59.61 5.18 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.141 0.977 . . . . 10.0 110.843 -176.185 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.427 ' N ' HG22 ' A' ' 24' ' ' THR . 47.9 t80 -54.62 -48.78 71.81 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.915 -0.491 . . . . 10.0 110.203 178.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.38 -34.17 72.09 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-O 117.964 -1.017 . . . . 10.0 111.489 175.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -66.33 0.56 Allowed 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 126.815 2.046 . . . . 10.0 109.55 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mtp -53.8 -29.95 42.78 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.031 0.443 . . . . 10.0 111.965 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -62.95 1.42 Allowed 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 116.684 -1.627 . . . . 10.0 111.352 177.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 64.0 m -45.34 -28.47 0.85 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.226 1.81 . . . . 10.0 111.325 173.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -59.65 -61.58 2.52 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.514 1.126 . . . . 10.0 111.339 173.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -72.42 -22.73 61.06 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.688 177.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -53.98 -73.11 0.05 Allowed 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.758 1.223 . . . . 10.0 109.473 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 121.615 0.721 . . . . 10.0 109.533 -176.825 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.614 0 N-CA-C 113.961 1.097 . . . . 10.0 113.961 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -48.84 -34.42 12.47 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.524 1.13 . . . . 10.0 113.532 172.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -88.23 -45.99 9.61 Favored 'General case' 0 C--O 1.213 -0.843 0 C-N-CA 127.673 2.389 . . . . 10.0 109.422 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -55.39 -32.38 62.59 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.6 1.545 . . . . 10.0 110.826 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -75.95 -37.43 58.66 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 118.037 -0.982 . . . . 10.0 111.117 175.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.28 -43.46 73.82 Favored 'General case' 0 C--O 1.199 -1.581 0 CA-C-O 117.667 -1.159 . . . . 10.0 109.911 175.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -61.83 -52.87 62.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 120.977 1.717 . . . . 10.0 111.881 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -61.16 -51.58 68.46 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 122.778 1.275 . . . . 10.0 110.593 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.4 m -65.71 -44.57 85.69 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.399 -0.819 . . . . 10.0 111.135 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -57.4 -46.44 83.46 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 108.025 -1.102 . . . . 10.0 108.025 173.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -54.12 -36.13 62.91 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 119.802 1.183 . . . . 10.0 112.436 176.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -68.95 0.22 Allowed 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 117.888 -1.053 . . . . 10.0 112.333 173.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -19.92 28.3 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 122.592 1.187 . . . . 10.0 113.287 174.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.8 t -77.29 -65.33 0.97 Allowed 'General case' 0 N--CA 1.441 -0.922 0 O-C-N 119.945 -1.722 . . . . 10.0 111.047 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -21.3 48.28 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.814 1.246 . . . . 10.0 111.677 176.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -53.51 -36.6 61.91 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.692 1.597 . . . . 10.0 111.841 168.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -11.87 3.31 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 114.091 1.145 . . . . 10.0 114.091 173.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.94 18.21 70.47 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 127.102 2.287 . . . . 10.0 111.122 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -77.1 176.87 8.29 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 123.088 1.423 . . . . 10.0 112.093 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.25 148.96 38.3 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-N 115.381 -0.827 . . . . 10.0 112.241 173.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -56.16 -56.05 25.66 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-O 117.315 -1.326 . . . . 10.0 111.821 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -57.64 8.35 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 126.167 1.787 . . . . 10.0 111.519 178.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -53.82 -47.8 70.53 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 119.169 -0.443 . . . . 10.0 110.759 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.0 -38.13 78.47 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 118.341 -0.838 . . . . 10.0 112.618 175.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -67.87 0.41 Allowed 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 126.914 2.085 . . . . 10.0 111.165 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -29.15 3.76 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.249 1.42 . . . . 10.0 112.65 178.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.8 -62.11 1.79 Allowed 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 115.267 -2.301 . . . . 10.0 113.02 172.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 58.8 m -47.65 -27.8 2.08 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.681 1.992 . . . . 10.0 113.153 173.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -61.9 -63.3 1.3 Allowed 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 126.124 1.769 . . . . 10.0 110.295 173.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.75 -23.2 61.57 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 118.438 -0.791 . . . . 10.0 112.391 177.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 12.1 t70 -55.64 -70.31 0.11 Allowed 'General case' 0 C--O 1.236 0.358 0 C-N-CA 126.501 1.92 . . . . 10.0 109.74 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 121.569 0.699 . . . . 10.0 110.378 178.724 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.774 0 CA-C-O 118.877 -0.582 . . . . 10.0 112.377 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -48.14 -31.83 6.16 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.402 0.89 . . . . 10.0 113.402 173.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -88.08 -43.16 11.89 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 124.877 1.271 . . . . 10.0 113.689 172.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -30.11 65.19 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 125.045 1.338 . . . . 10.0 111.949 175.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -77.55 -36.42 52.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 117.7 -1.143 . . . . 10.0 111.566 172.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -42.4 72.56 Favored 'General case' 0 C--O 1.194 -1.825 0 CA-C-O 117.049 -1.453 . . . . 10.0 110.473 174.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -62.64 -51.68 66.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 121.769 2.077 . . . . 10.0 111.792 177.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.46 -51.86 66.92 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.391 1.091 . . . . 10.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.2 m -66.8 -43.98 82.45 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.13 0.972 . . . . 10.0 110.992 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.549 ' HG ' ' HG ' ' A' ' 30' ' ' CYS . 45.6 t -57.25 -45.53 83.9 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 123.591 0.756 . . . . 10.0 109.106 173.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -54.38 -38.68 66.41 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 117.468 -1.253 . . . . 10.0 112.616 174.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -54.35 -65.88 0.5 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.058 -0.972 . . . . 10.0 112.492 172.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.49 -12.22 30.12 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 123.47 1.605 . . . . 10.0 113.219 174.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 t -81.99 -63.61 1.35 Allowed 'General case' 0 N--CA 1.443 -0.788 0 O-C-N 118.962 -2.336 . . . . 10.0 111.365 176.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -23.98 9.22 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 116.743 -1.599 . . . . 10.0 112.016 174.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -50.94 -36.4 38.49 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.053 1.341 . . . . 10.0 112.942 167.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -11.86 3.91 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 114.071 1.137 . . . . 10.0 114.071 173.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.24 16.05 77.21 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 126.724 2.107 . . . . 10.0 110.74 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -77.04 176.9 8.24 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 122.999 1.381 . . . . 10.0 112.346 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.87 144.26 28.63 Favored Glycine 0 C--N 1.329 0.164 0 CA-C-N 115.274 -0.876 . . . . 10.0 111.597 173.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -47.25 -48.61 24.45 Favored 'General case' 0 C--O 1.211 -0.952 0 C-N-CA 125.205 1.402 . . . . 10.0 110.573 175.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -57.32 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 124.227 1.011 . . . . 10.0 110.935 -175.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -57.7 -43.68 85.36 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.638 0.732 . . . . 10.0 111.262 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -36.05 79.91 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 117.447 -1.263 . . . . 10.0 112.761 173.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -65.85 0.63 Allowed 'General case' 0 CA--C 1.506 -0.739 0 C-N-CA 127.499 2.32 . . . . 10.0 109.437 177.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.2 ptm -51.72 -37.33 50.52 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.703 0.764 . . . . 10.0 112.174 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -71.63 -59.32 2.82 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 115.911 -1.995 . . . . 10.0 110.809 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.549 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 31.2 m -46.1 -29.36 1.49 Allowed 'General case' 0 CA--C 1.536 0.421 0 O-C-N 125.245 1.591 . . . . 10.0 113.464 170.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -60.82 -61.62 2.45 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 125.342 1.457 . . . . 10.0 111.185 172.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -71.12 -26.62 63.1 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-O 117.633 -1.175 . . . . 10.0 111.869 177.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -52.98 -76.69 0.02 OUTLIER 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.093 1.357 . . . . 10.0 109.5 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.441 -0.876 0 N-CA-C 106.429 -1.693 . . . . 10.0 106.429 -178.593 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.381 0 N-CA-C 112.011 0.374 . . . . 10.0 112.011 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.87 -32.82 6.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.507 1.123 . . . . 10.0 112.269 172.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.407 ' CE2' ' O ' ' A' ' 34' ' ' CYS . 27.3 t80 -87.36 -45.07 10.89 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.291 1.036 . . . . 10.0 111.615 175.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -56.46 -33.81 66.27 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 118.941 0.791 . . . . 10.0 110.43 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -69.5 -44.19 71.59 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.767 0.827 . . . . 10.0 110.723 173.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -45.08 90.08 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 118.025 0.375 . . . . 10.0 110.223 178.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -60.82 -54.42 45.39 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 124.806 1.242 . . . . 10.0 112.137 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -60.25 -52.9 63.33 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 122.967 1.365 . . . . 10.0 110.866 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.5 m -64.79 -43.42 93.26 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.586 1.154 . . . . 10.0 112.001 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.0 t -58.67 -45.44 89.41 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 119.114 0.87 . . . . 10.0 108.687 172.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -54.71 -34.45 62.42 Favored 'General case' 0 C--O 1.222 -0.384 0 O-C-N 120.824 -1.173 . . . . 10.0 112.791 177.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -68.6 0.23 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.954 0.902 . . . . 10.0 111.729 172.305 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -62.02 -14.72 38.46 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 122.268 1.033 . . . . 10.0 112.654 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.0 t -81.33 -62.23 1.72 Allowed 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 120.214 -1.554 . . . . 10.0 111.017 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -25.47 37.81 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.37 -1.456 . . . . 10.0 112.433 175.245 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -51.8 -38.25 54.95 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.072 1.349 . . . . 10.0 111.259 169.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -10.1 4.76 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 118.266 -0.873 . . . . 10.0 112.956 176.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.63 18.59 77.3 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 127.066 2.269 . . . . 10.0 112.223 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -76.16 173.86 10.81 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 122.437 1.113 . . . . 10.0 111.341 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.54 130.77 23.62 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.107 -1.197 . . . . 10.0 110.107 173.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -39.56 -59.02 1.18 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.703 1.601 . . . . 10.0 112.884 174.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.93 -58.03 6.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.484 1.914 . . . . 10.0 111.67 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -52.98 -47.87 67.87 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.871 -0.518 . . . . 10.0 110.188 176.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -37.33 76.8 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-O 118.311 -0.852 . . . . 10.0 111.772 176.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -68.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 126.249 1.82 . . . . 10.0 110.194 175.393 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -33.53 17.24 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.826 0.85 . . . . 10.0 112.684 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.79 -56.64 4.56 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-O 118.51 -0.757 . . . . 10.0 111.769 176.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.7 m -49.04 -28.37 3.99 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.49 1.516 . . . . 10.0 113.248 172.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -61.93 -61.54 2.42 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.084 1.753 . . . . 10.0 110.179 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -71.54 -26.47 62.66 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.123 -0.944 . . . . 10.0 111.438 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -55.14 -72.5 0.07 Allowed 'General case' 0 C--O 1.235 0.332 0 C-N-CA 125.514 1.525 . . . . 10.0 111.1 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.407 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 3.2 t . . . . . 0 N--CA 1.44 -0.959 0 N-CA-C 107.522 -1.288 . . . . 10.0 107.522 177.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.272 0 N-CA-C 112.779 0.659 . . . . 10.0 112.779 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -33.17 12.91 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.922 0.868 . . . . 10.0 112.52 175.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -87.4 -39.89 14.88 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 124.86 1.264 . . . . 10.0 111.063 176.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -33.06 62.37 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.006 1.323 . . . . 10.0 110.954 177.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -71.25 -43.11 67.9 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 118.573 -0.727 . . . . 10.0 111.03 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.46 -44.28 87.72 Favored 'General case' 0 C--O 1.198 -1.608 0 CA-C-O 118.475 -0.774 . . . . 10.0 109.956 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -61.5 -52.8 62.99 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 125.506 1.522 . . . . 10.0 111.781 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.49 -50.79 71.3 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 122.577 1.18 . . . . 10.0 111.157 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.2 m -66.69 -43.89 83.21 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.998 1.319 . . . . 10.0 111.452 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 t -58.05 -47.65 82.48 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 107.798 -1.186 . . . . 10.0 107.798 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -53.37 -36.18 61.11 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 119.901 1.228 . . . . 10.0 112.519 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -69.61 0.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.21 -0.9 . . . . 10.0 112.254 172.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -58.71 -18.29 30.07 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 122.286 1.041 . . . . 10.0 112.382 174.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.7 t -79.14 -63.02 1.51 Allowed 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 119.419 -2.05 . . . . 10.0 110.545 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -23.87 33.06 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 120.352 -1.467 . . . . 10.0 112.115 175.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.4 -36.79 45.15 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.139 1.376 . . . . 10.0 111.482 169.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -10.88 4.96 Favored 'General case' 0 C--N 1.344 0.353 0 N-CA-C 112.989 0.737 . . . . 10.0 112.989 175.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.85 16.87 76.27 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 126.282 1.896 . . . . 10.0 111.519 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -78.27 175.64 10.02 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.709 1.242 . . . . 10.0 111.716 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.97 148.56 38.16 Favored Glycine 0 CA--C 1.521 0.464 0 CA-C-N 115.233 -0.894 . . . . 10.0 112.003 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -55.37 -57.24 12.67 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 124.917 1.287 . . . . 10.0 112.087 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.03 -57.15 8.21 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 125.774 1.63 . . . . 10.0 111.567 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -53.99 -49.24 69.27 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 122.741 0.416 . . . . 10.0 110.381 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -35.28 73.33 Favored 'General case' 0 C--O 1.204 -1.298 0 CA-C-O 118.552 -0.737 . . . . 10.0 112.045 176.217 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.85 -66.16 0.6 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 126.405 1.882 . . . . 10.0 111.318 177.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.34 -27.97 4.47 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.996 1.318 . . . . 10.0 112.188 176.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.65 -59.57 2.47 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 116.659 -1.639 . . . . 10.0 112.25 174.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 46.0 m -46.18 -28.66 1.3 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 126.48 1.912 . . . . 10.0 112.744 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -61.16 -64.57 0.91 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.003 1.321 . . . . 10.0 109.486 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -19.55 62.55 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 120.772 -1.205 . . . . 10.0 112.928 177.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -55.97 -72.81 0.07 Allowed 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 126.687 1.995 . . . . 10.0 109.112 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.441 -0.902 0 O-C-N 124.418 1.074 . . . . 10.0 108.858 -177.842 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.485 0 CA-C-O 119.202 -0.428 . . . . 10.0 110.099 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -26.54 22.22 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 122.256 1.027 . . . . 10.0 112.137 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -86.28 -45.92 10.81 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 124.568 1.147 . . . . 10.0 112.491 174.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -30.63 65.36 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 118.365 0.529 . . . . 10.0 111.379 176.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -77.81 -34.71 51.98 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 118.115 -0.945 . . . . 10.0 111.794 174.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -72.0 -42.41 66.45 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-O 118.198 -0.906 . . . . 10.0 110.305 175.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -62.5 -52.02 65.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 120.091 1.314 . . . . 10.0 111.634 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -61.93 -50.84 70.56 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.061 0.934 . . . . 10.0 110.568 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.3 m -65.43 -46.0 81.65 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.41 -0.814 . . . . 10.0 110.837 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.32 -46.66 79.77 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 108.244 -1.021 . . . . 10.0 108.244 174.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -53.17 -38.29 62.66 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 119.186 0.903 . . . . 10.0 112.015 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -56.92 -69.27 0.16 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 117.927 -1.035 . . . . 10.0 112.114 174.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.27 -17.14 26.07 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 122.913 1.339 . . . . 10.0 112.777 174.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.8 t -78.13 -67.8 0.7 Allowed 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 119.642 -1.911 . . . . 10.0 110.601 176.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -23.55 18.82 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.048 -1.033 . . . . 10.0 111.205 176.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -52.33 -36.03 52.31 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.073 1.349 . . . . 10.0 111.737 170.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -12.06 5.92 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 113.376 0.88 . . . . 10.0 113.376 174.269 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.78 18.57 67.63 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.903 1.715 . . . . 10.0 110.661 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -77.75 177.65 7.98 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 122.891 1.329 . . . . 10.0 111.958 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.2 149.78 36.22 Favored Glycine 0 C--N 1.331 0.292 0 CA-C-N 115.309 -0.859 . . . . 10.0 112.065 173.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -54.27 -57.7 10.2 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 124.619 1.168 . . . . 10.0 111.038 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.99 -57.94 7.31 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 124.991 1.316 . . . . 10.0 111.244 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -53.68 -47.6 70.27 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 119.454 -0.308 . . . . 10.0 110.565 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.72 -36.54 74.44 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 118.469 -0.777 . . . . 10.0 112.431 175.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -68.75 0.35 Allowed 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 125.909 1.684 . . . . 10.0 110.826 176.027 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.2 mtt -47.99 -29.64 3.62 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.487 1.04 . . . . 10.0 112.469 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -64.37 1.18 Allowed 'General case' 0 C--O 1.214 -0.789 0 CA-C-O 115.468 -2.206 . . . . 10.0 112.264 174.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 65.4 m -47.26 -29.4 2.41 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.621 1.568 . . . . 10.0 112.654 174.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -61.15 -62.25 1.98 Allowed 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 125.187 1.395 . . . . 10.0 110.694 174.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -70.58 -25.14 62.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.614 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 22.4 t70 -54.44 -73.5 0.05 OUTLIER 'General case' 0 C--O 1.233 0.203 0 C-N-CA 125.663 1.585 . . . . 10.0 109.565 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.444 -0.735 0 N-CA-C 108.019 -1.104 . . . . 10.0 108.019 179.044 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 119.639 -0.22 . . . . 10.0 110.528 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -53.04 -29.22 28.54 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.221 1.408 . . . . 10.0 113.328 175.832 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -79.93 -50.9 9.78 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 125.334 1.454 . . . . 10.0 113.075 170.525 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -57.86 -31.7 66.95 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.382 0.673 . . . . 10.0 111.944 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -73.0 -41.03 64.71 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 124.383 1.073 . . . . 10.0 112.766 170.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 t -65.32 -44.83 86.6 Favored 'General case' 0 C--O 1.206 -1.184 0 CA-C-N 118.67 0.668 . . . . 10.0 110.684 174.434 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -60.53 -54.41 45.84 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.766 1.226 . . . . 10.0 112.688 177.617 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -61.06 -51.56 68.67 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 122.084 0.945 . . . . 10.0 110.892 -179.539 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -66.5 -41.6 88.63 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.676 1.19 . . . . 10.0 112.495 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.5 t -60.26 -43.83 95.81 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.882 -0.784 . . . . 10.0 108.882 170.363 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -56.73 -31.27 64.38 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.102 -1.624 . . . . 10.0 114.129 175.901 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -60.97 -69.17 0.25 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.592 1.157 . . . . 10.0 111.483 170.343 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -60.39 -16.6 37.21 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 122.403 1.097 . . . . 10.0 113.346 175.747 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.8 t -79.81 -60.14 2.46 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 119.535 -1.978 . . . . 10.0 112.674 174.071 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -23.95 65.54 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.958 -1.089 . . . . 10.0 111.868 175.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -50.61 -40.15 52.02 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.666 1.986 . . . . 10.0 112.166 166.863 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -8.34 1.22 Allowed 'General case' 0 C--N 1.346 0.414 0 N-CA-C 114.589 1.329 . . . . 10.0 114.589 173.424 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.46 17.6 75.57 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 127.466 2.46 . . . . 10.0 112.711 -179.601 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -76.94 172.01 13.85 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 122.888 1.328 . . . . 10.0 112.425 177.301 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.62 148.37 40.12 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 115.114 -0.948 . . . . 10.0 111.832 174.138 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.91 -56.11 18.32 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.279 1.431 . . . . 10.0 112.469 178.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -53.69 -54.73 33.83 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.128 2.171 . . . . 10.0 112.242 178.808 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -54.07 -49.68 68.48 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 122.535 0.334 . . . . 10.0 110.538 174.74 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.56 -35.31 75.74 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 113.453 0.909 . . . . 10.0 113.453 175.624 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.28 -68.37 0.36 Allowed 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 125.731 1.613 . . . . 10.0 109.973 174.674 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -27.93 6.83 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.609 1.564 . . . . 10.0 112.758 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -79.91 -57.73 3.5 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 117.784 -1.103 . . . . 10.0 113.624 173.627 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.8 m -52.41 -29.41 24.15 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.816 2.046 . . . . 10.0 114.836 171.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -59.68 -66.08 0.57 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 128.442 2.697 . . . . 10.0 109.903 171.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 m -68.72 -25.76 64.92 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 118.086 -0.959 . . . . 10.0 112.201 178.326 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -56.22 -74.71 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.872 1.669 . . . . 10.0 110.029 176.826 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.444 -0.759 0 CA-C-N 114.899 -1.046 . . . . 10.0 108.314 -178.363 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 121.562 0.696 . . . . 10.0 112.012 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -48.7 -31.5 6.94 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.446 1.276 . . . . 10.0 114.446 175.662 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -88.45 -43.02 11.76 Favored 'General case' 0 C--O 1.212 -0.908 0 C-N-CA 126.78 2.032 . . . . 10.0 110.654 173.171 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -56.54 -33.5 66.15 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 120.674 1.579 . . . . 10.0 111.066 177.242 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.26 -38.81 63.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 123.236 0.614 . . . . 10.0 112.232 174.007 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.7 -43.84 83.32 Favored 'General case' 0 C--O 1.205 -1.25 0 O-C-N 123.992 0.808 . . . . 10.0 111.164 174.337 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -62.1 -52.55 63.43 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.321 0.648 . . . . 10.0 111.989 178.363 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.57 -52.0 66.23 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.251 1.024 . . . . 10.0 110.215 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.5 m -64.64 -45.29 87.44 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.931 0.892 . . . . 10.0 111.925 -179.5 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.4 t -56.99 -48.16 79.11 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 108.194 -1.039 . . . . 10.0 108.194 173.036 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -52.46 -33.18 43.22 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.745 -1.222 . . . . 10.0 113.658 176.421 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -60.82 -68.81 0.27 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.646 1.216 . . . . 10.0 111.77 173.584 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -19.48 44.45 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 123.205 1.479 . . . . 10.0 113.278 174.604 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.0 t -77.49 -61.94 1.82 Allowed 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 119.621 -1.925 . . . . 10.0 112.552 175.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -21.27 61.27 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.308 -0.86 . . . . 10.0 112.188 176.527 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -53.7 -38.37 64.18 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.926 1.291 . . . . 10.0 111.97 168.357 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -7.9 2.51 Favored 'General case' 0 C--O 1.243 0.737 0 N-CA-C 114.18 1.178 . . . . 10.0 114.18 174.364 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.5 20.65 76.53 Favored Glycine 0 C--N 1.344 0.983 0 C-N-CA 126.128 1.823 . . . . 10.0 110.947 179.2 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -76.56 175.09 9.6 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 123.603 1.668 . . . . 10.0 111.307 177.856 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.62 131.37 18.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.077 -1.015 . . . . 10.0 110.717 173.437 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.37 -58.03 1.63 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.246 1.818 . . . . 10.0 112.901 176.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.74 -59.43 3.82 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 126.874 2.07 . . . . 10.0 111.198 176.503 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -52.8 -46.2 67.56 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 122.638 0.375 . . . . 10.0 110.605 177.531 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -36.21 76.63 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-O 118.045 -0.979 . . . . 10.0 113.154 175.158 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -68.3 0.38 Allowed 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.591 1.156 . . . . 10.0 110.541 174.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.4 ttp -47.01 -29.78 2.28 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.408 1.483 . . . . 10.0 111.799 179.506 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.89 -60.74 2.23 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-O 117.015 -1.469 . . . . 10.0 112.453 174.888 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.1 m -47.45 -27.58 1.78 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.737 1.615 . . . . 10.0 113.72 173.533 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -62.06 -63.17 1.33 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 126.244 1.818 . . . . 10.0 111.002 172.675 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -72.55 -21.76 61.11 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.232 -0.917 . . . . 10.0 111.604 177.214 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -56.01 -70.6 0.11 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.96 1.704 . . . . 10.0 109.991 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 123.303 1.525 . . . . 10.0 112.653 179.486 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.618 0 CA-C-O 119.27 -0.395 . . . . 10.0 110.941 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.44 -29.2 3.84 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.221 1.008 . . . . 10.0 111.708 176.497 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -86.44 -44.19 12.2 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 124.081 0.953 . . . . 10.0 111.175 175.519 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -56.96 -27.33 61.12 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 118.919 0.781 . . . . 10.0 111.579 175.709 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.97 -33.1 30.38 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 109.929 -0.397 . . . . 10.0 109.929 177.151 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 0.7 OUTLIER -73.35 -42.92 61.67 Favored 'General case' 0 C--O 1.195 -1.78 0 CA-C-O 117.948 -1.025 . . . . 10.0 109.108 176.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -62.86 -51.75 65.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 120.593 1.542 . . . . 10.0 110.998 178.524 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -61.53 -51.97 66.39 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 122.293 1.044 . . . . 10.0 109.823 -179.784 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.4 m -64.1 -46.29 84.9 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.621 -178.907 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.536 ' HG ' ' HG ' ' A' ' 30' ' ' CYS . 34.9 t -56.41 -45.83 80.47 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 107.936 -1.135 . . . . 10.0 107.936 176.912 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.584 ' HE1' ' O ' ' A' ' 23' ' ' PHE . 7.0 t60 -53.56 -40.67 65.77 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-O 118.102 -0.951 . . . . 10.0 110.243 177.683 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -54.1 -69.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 119.258 0.936 . . . . 10.0 111.312 176.086 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -16.32 22.3 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 122.848 1.309 . . . . 10.0 112.074 176.087 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.8 t -78.7 -68.39 0.65 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.719 -1.863 . . . . 10.0 109.308 178.23 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.43 -26.2 4.77 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.317 1.447 . . . . 10.0 110.168 177.891 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.62 -36.68 46.87 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 124.04 0.936 . . . . 10.0 112.093 172.083 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -14.16 9.78 Favored 'General case' 0 N--CA 1.444 -0.728 0 O-C-N 121.108 -0.995 . . . . 10.0 112.152 174.892 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.85 19.45 72.96 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 125.843 1.687 . . . . 10.0 109.782 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -75.82 -179.58 4.89 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 122.363 1.078 . . . . 10.0 111.674 177.325 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.37 130.28 9.96 Favored Glycine 0 C--O 1.223 -0.554 0 N-CA-C 110.656 -0.978 . . . . 10.0 110.656 176.089 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.584 ' O ' ' HE1' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -39.47 -60.01 1.01 Allowed 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 124.93 1.292 . . . . 10.0 112.213 178.067 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -47.99 -58.7 4.09 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 124.988 1.43 . . . . 10.0 110.702 179.102 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.436 ' N ' HG22 ' A' ' 24' ' ' THR . 56.2 t80 -53.55 -47.58 69.9 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 122.813 0.445 . . . . 10.0 110.646 178.454 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -36.68 71.83 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-O 118.907 -0.568 . . . . 10.0 110.933 175.819 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -66.6 0.53 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.031 1.332 . . . . 10.0 110.742 177.283 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 mtt -50.64 -36.5 35.69 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.419 0.628 . . . . 10.0 111.353 179.324 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -70.09 -63.94 0.99 Allowed 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 115.971 -1.966 . . . . 10.0 110.448 177.69 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.536 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 56.3 m -45.75 -27.13 0.76 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.949 1.406 . . . . 10.0 111.301 175.72 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -60.7 -61.31 2.68 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 122.147 0.975 . . . . 10.0 111.093 174.404 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -73.08 -21.94 60.68 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.782 -0.644 . . . . 10.0 111.413 177.836 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -53.09 -73.96 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.271 1.028 . . . . 10.0 108.929 177.911 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.44 -0.928 0 N-CA-C 106.942 -1.503 . . . . 10.0 106.942 -176.087 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.848 0 CA-C-O 118.174 -0.917 . . . . 10.0 112.737 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.49 -28.53 13.67 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.725 2.01 . . . . 10.0 115.586 172.353 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -88.84 -45.33 9.83 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 125.258 1.423 . . . . 10.0 110.779 170.313 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.31 -35.2 69.55 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.602 1.561 . . . . 10.0 112.615 178.425 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.68 -44.18 78.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.328 1.018 . . . . 10.0 111.507 171.473 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -46.46 76.62 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 125.1 1.5 . . . . 10.0 108.216 -178.539 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -59.11 -54.91 41.7 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 114.243 1.201 . . . . 10.0 114.243 174.218 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.81 -52.21 66.68 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 122.26 1.029 . . . . 10.0 111.731 178.179 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.8 m -67.0 -43.68 82.3 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.967 1.707 . . . . 10.0 113.701 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.7 t -58.98 -42.42 89.96 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 167.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -58.09 -35.33 71.27 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 119.849 -1.782 . . . . 10.0 115.347 172.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -59.08 -65.61 0.64 Allowed 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 116.953 -1.499 . . . . 10.0 112.003 168.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.93 -27.56 65.41 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 122.853 1.311 . . . . 10.0 114.432 176.047 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.6 t -75.37 -55.69 5.45 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 119.736 -1.852 . . . . 10.0 112.806 179.306 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -24.2 64.68 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.07 -1.423 . . . . 10.0 113.141 174.2 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -53.9 -41.62 67.81 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 127.304 2.242 . . . . 10.0 111.755 168.219 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -7.71 1.92 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.418 1.266 . . . . 10.0 114.418 173.905 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.65 16.44 61.81 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 127.847 2.641 . . . . 10.0 113.237 178.867 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.435 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 5.3 m-20 -72.66 173.61 8.76 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-O 122.668 1.223 . . . . 10.0 111.784 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.97 125.69 9.16 Favored Glycine 0 CA--C 1.539 1.58 0 O-C-N 120.76 -1.212 . . . . 10.0 110.613 174.699 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -38.28 -62.66 0.56 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 126.267 1.827 . . . . 10.0 113.46 177.198 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -51.41 -55.06 20.7 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 126.738 2.015 . . . . 10.0 114.115 175.115 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -54.67 -45.4 73.87 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.815 0.846 . . . . 10.0 111.861 176.668 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 21' ' ' ASN . 0.7 OUTLIER -59.84 -41.36 91.22 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 124.46 1.104 . . . . 10.0 112.166 173.647 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.2 -61.94 2.26 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.185 0.994 . . . . 10.0 110.758 174.356 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.62 -28.24 8.41 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.74 1.616 . . . . 10.0 113.706 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -82.29 -56.49 3.88 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 116.926 -1.511 . . . . 10.0 113.037 172.68 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 99.6 m -46.82 -27.99 1.41 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 129.168 2.987 . . . . 10.0 115.893 171.033 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.72 -65.67 0.65 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.431 2.692 . . . . 10.0 111.361 169.337 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -73.14 -13.9 61.27 Favored 'General case' 0 CA--C 1.562 1.436 0 N-CA-C 113.81 1.041 . . . . 10.0 113.81 174.043 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.94 -67.79 0.39 Allowed 'General case' 0 N--CA 1.474 0.725 0 O-C-N 120.09 -1.631 . . . . 10.0 111.132 177.546 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--O 1.252 1.204 0 C-N-CA 125.359 1.464 . . . . 10.0 113.636 178.784 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -49.55 -29.44 6.92 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 122.665 1.221 . . . . 10.0 112.0 178.085 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -83.57 -48.21 10.48 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 125.176 1.39 . . . . 10.0 111.121 177.442 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -30.37 62.25 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 117.941 0.337 . . . . 10.0 110.631 177.667 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -77.92 -36.58 49.29 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.758 -1.115 . . . . 10.0 111.43 177.21 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -44.1 73.73 Favored 'General case' 0 C--O 1.201 -1.488 0 O-C-N 124.585 1.178 . . . . 10.0 110.986 174.202 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.424 ' CE1' ' HG2' ' A' ' 27' ' ' GLU . 25.9 t80 -61.92 -52.46 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 119.378 0.99 . . . . 10.0 112.224 177.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.29 -51.87 67.71 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 122.135 0.969 . . . . 10.0 110.022 179.604 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -66.21 -46.47 77.12 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.255 -0.884 . . . . 10.0 111.05 -178.06 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.3 t -54.89 -44.8 74.43 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 173.395 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.442 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.5 t-80 -55.9 -39.96 72.33 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 121.027 -1.046 . . . . 10.0 112.509 175.889 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -56.81 -68.93 0.18 Allowed 'General case' 0 C--O 1.212 -0.921 0 CA-C-O 116.148 -1.882 . . . . 10.0 110.422 173.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.45 -27.12 55.87 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 123.061 1.41 . . . . 10.0 113.468 176.789 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.32 -70.45 0.32 Allowed 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 120.176 -1.578 . . . . 10.0 109.361 178.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -24.65 63.06 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 121.568 -0.708 . . . . 10.0 111.354 177.588 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.87 -37.76 74.5 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.363 1.465 . . . . 10.0 110.881 173.354 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -62.36 -10.1 10.23 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 112.631 0.604 . . . . 10.0 112.631 174.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.4 21.56 29.19 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 126.041 1.781 . . . . 10.0 110.969 177.415 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.462 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -78.34 177.59 8.33 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 123.678 1.704 . . . . 10.0 110.03 -178.202 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.7 128.99 8.78 Favored Glycine 0 C--O 1.223 -0.578 0 O-C-N 120.579 -1.326 . . . . 10.0 110.069 176.121 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -39.09 -62.39 0.65 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.661 1.184 . . . . 10.0 112.051 177.019 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.42 -58.99 5.18 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.201 1.0 . . . . 10.0 111.199 -178.816 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -52.9 -40.35 63.47 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.934 -0.576 . . . . 10.0 112.109 177.813 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -60.92 -38.89 87.34 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 124.465 1.106 . . . . 10.0 110.864 176.412 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 0.7 OUTLIER -62.26 -65.56 0.67 Allowed 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 117.47 -1.252 . . . . 10.0 110.811 173.357 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.52 -25.65 2.86 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.514 1.149 . . . . 10.0 112.875 -179.481 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -83.16 -63.7 1.31 Allowed 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 116.675 -1.631 . . . . 10.0 112.372 175.166 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 61.0 m -46.47 -28.7 1.47 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.995 1.718 . . . . 10.0 112.462 174.265 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.2 -64.24 1.02 Allowed 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 125.645 1.578 . . . . 10.0 109.521 173.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -69.46 -25.49 64.11 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 123.568 0.542 . . . . 10.0 112.199 178.491 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -55.14 -73.17 0.06 Allowed 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.63 1.172 . . . . 10.0 109.597 177.793 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.445 -0.688 0 N-CA-C 107.827 -1.175 . . . . 10.0 107.827 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.509 -0.618 0 N-CA-C 107.34 -1.356 . . . . 10.0 107.34 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 170.96 -28.5 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 125.934 1.694 . . . . 10.0 109.994 176.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.67 81.62 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 123.391 0.676 . . . . 10.0 111.945 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -46.61 -33.0 3.83 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.804 1.039 . . . . 10.0 113.804 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -87.08 -44.82 11.26 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 125.578 1.551 . . . . 10.0 109.804 174.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -54.79 -28.74 51.27 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.905 1.684 . . . . 10.0 111.622 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.5 -40.08 51.2 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 123.026 0.53 . . . . 10.0 110.845 174.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.0 -43.42 78.91 Favored 'General case' 0 C--O 1.196 -1.73 0 O-C-N 121.235 -0.916 . . . . 10.0 109.73 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -61.74 -52.53 63.86 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 120.839 1.654 . . . . 10.0 112.294 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -61.23 -53.23 59.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.813 1.292 . . . . 10.0 110.447 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -64.53 -44.13 91.81 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 124.087 0.955 . . . . 10.0 110.914 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -55.85 -46.47 78.19 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 108.288 -1.004 . . . . 10.0 108.288 173.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -54.6 -39.46 67.9 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 119.79 1.177 . . . . 10.0 112.368 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -61.11 2.64 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 123.519 0.728 . . . . 10.0 111.87 173.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -66.61 -10.01 41.35 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.791 1.282 . . . . 10.0 112.168 173.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.2 t -83.55 -62.57 1.55 Allowed 'General case' 0 N--CA 1.437 -1.097 0 O-C-N 118.903 -2.373 . . . . 10.0 108.551 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -26.63 9.36 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 124.273 1.029 . . . . 10.0 111.695 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.02 -37.34 44.61 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.693 1.197 . . . . 10.0 112.455 170.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -12.96 4.93 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.289 -0.882 . . . . 10.0 112.828 174.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.05 7.77 87.41 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 127.188 2.328 . . . . 10.0 111.767 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -69.91 177.73 3.0 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 123.111 1.434 . . . . 10.0 111.769 174.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.66 156.98 35.52 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.87 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.38 -56.68 18.99 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 123.764 0.826 . . . . 10.0 111.543 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.09 -58.14 6.87 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.903 1.281 . . . . 10.0 111.22 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -56.24 -38.35 70.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 121.535 -0.728 . . . . 10.0 110.681 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -61.67 -37.65 84.86 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 117.634 -1.174 . . . . 10.0 111.618 174.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -65.53 0.67 Allowed 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 125.903 1.681 . . . . 10.0 111.125 175.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -25.1 6.43 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.624 0.77 . . . . 10.0 112.601 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.87 -63.87 1.26 Allowed 'General case' 0 C--O 1.205 -1.274 0 CA-C-O 115.557 -2.163 . . . . 10.0 112.296 174.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.9 m -44.7 -29.02 0.69 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.576 1.95 . . . . 10.0 112.673 173.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -61.27 -63.24 1.35 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.11 1.364 . . . . 10.0 110.812 173.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -72.68 -17.94 61.59 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 118.25 -0.881 . . . . 10.0 111.625 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -58.06 -69.46 0.18 Allowed 'General case' 0 C--O 1.233 0.225 0 C-N-CA 125.587 1.555 . . . . 10.0 109.647 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 96.6 m -81.02 58.04 3.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.75 0.786 . . . . 10.0 109.579 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.69 147.4 0.49 Allowed 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 124.189 1.947 . . . . 10.0 110.077 -177.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.609 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.5 t -79.14 -178.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 O-C-N 118.934 -2.354 . . . . 10.0 109.555 176.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.609 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -173.46 -153.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.37 1.068 . . . . 10.0 109.96 178.071 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -136.72 120.56 17.46 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.662 1.185 . . . . 10.0 109.401 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.5 t -149.12 87.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 105.655 -1.98 . . . . 10.0 105.655 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -47.88 149.06 1.41 Allowed 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.328 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.79 167.16 0.59 Allowed 'General case' 0 C--O 1.238 0.463 0 CA-C-O 122.346 1.07 . . . . 10.0 111.025 -178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -105.9 86.99 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.753 -1.573 . . . . 10.0 106.753 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.87 154.55 0.7 Allowed 'General case' 0 C--O 1.234 0.247 0 O-C-N 124.167 0.917 . . . . 10.0 110.288 174.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.13 178.83 9.76 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.815 -0.63 . . . . 10.0 109.349 -178.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 172.9 162.79 0.12 Allowed 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.109 1.364 . . . . 10.0 110.243 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -151.35 174.31 13.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.318 -0.855 . . . . 10.0 109.551 -174.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.63 77.04 46.98 Favored Pre-proline 0 C--O 1.232 0.178 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.901 177.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -66.23 137.03 46.2 Favored 'Trans proline' 0 N--CA 1.449 -1.116 0 C-N-CA 121.67 1.58 . . . . 10.0 108.052 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.98 164.33 0.11 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.114 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 p30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 114.682 -2.58 . . . . 10.0 113.562 175.587 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 . . . . . 0 CA--C 1.508 -0.655 0 N-CA-C 106.651 -1.611 . . . . 10.0 106.651 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.28 -26.29 1.93 Allowed 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.815 -1.178 . . . . 10.0 112.52 176.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.78 -48.73 66.65 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.765 1.226 . . . . 10.0 114.287 172.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -46.81 -33.33 4.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.29 1.036 . . . . 10.0 112.369 174.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -92.4 -39.69 11.3 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 126.35 1.86 . . . . 10.0 110.451 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -53.19 -33.65 53.59 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 125.199 1.4 . . . . 10.0 110.449 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.8 -43.54 65.48 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 123.116 0.566 . . . . 10.0 111.073 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -44.01 91.89 Favored 'General case' 0 C--O 1.198 -1.614 0 CA-C-O 118.431 -0.795 . . . . 10.0 110.53 176.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -61.43 -52.45 64.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 120.444 1.474 . . . . 10.0 112.316 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -61.55 -53.54 55.04 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.995 0.918 . . . . 10.0 110.081 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.3 m -63.98 -43.81 94.59 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.965 1.306 . . . . 10.0 111.033 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.0 -48.22 78.99 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 107.978 -1.119 . . . . 10.0 107.978 173.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 16' ' ' CYS . 10.3 t-80 -52.97 -37.62 61.38 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 119.613 1.097 . . . . 10.0 112.763 177.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -56.19 -64.34 0.89 Allowed 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 124.282 1.033 . . . . 10.0 111.691 173.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -66.21 -8.71 26.09 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 122.434 1.111 . . . . 10.0 112.736 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . 23.6 t -85.59 -60.0 2.15 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 119.623 -1.923 . . . . 10.0 109.598 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -25.12 10.87 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.658 1.183 . . . . 10.0 112.188 173.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.98 -36.51 49.89 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.63 1.172 . . . . 10.0 111.984 170.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -11.45 4.6 Favored 'General case' 0 C--N 1.342 0.258 0 O-C-N 120.997 -1.064 . . . . 10.0 113.355 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.37 7.72 87.98 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 127.262 2.363 . . . . 10.0 111.764 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -72.48 177.05 4.87 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 123.737 1.732 . . . . 10.0 111.717 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.46 149.81 23.98 Favored Glycine 0 C--N 1.333 0.373 0 CA-C-N 114.893 -1.049 . . . . 10.0 111.389 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -51.88 -43.64 63.38 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 117.943 -1.027 . . . . 10.0 112.276 177.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -60.31 -60.33 3.99 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.724 1.61 . . . . 10.0 110.627 -176.146 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.405 ' N ' HG22 ' A' ' 24' ' ' THR . 39.9 t80 -56.21 -39.48 72.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 121.868 -0.52 . . . . 10.0 110.404 175.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -33.68 76.02 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-O 117.822 -1.085 . . . . 10.0 111.775 175.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.07 -63.11 1.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 125.001 1.32 . . . . 10.0 109.666 177.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.8 ttm -55.76 -21.65 20.1 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.226 0.61 . . . . 10.0 112.488 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -86.76 -62.94 1.39 Allowed 'General case' 0 C--O 1.209 -1.029 0 CA-C-O 115.77 -2.062 . . . . 10.0 111.62 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 55.9 m -45.44 -29.73 1.19 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 127.707 2.403 . . . . 10.0 112.545 173.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -59.03 -66.18 0.55 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.441 1.096 . . . . 10.0 109.638 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -72.49 -14.8 61.75 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.256 -0.903 . . . . 10.0 112.731 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 4.6 t70 -60.34 -71.88 0.12 Allowed 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 126.039 1.736 . . . . 10.0 108.718 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.2 m -70.57 -21.58 62.68 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.692 -0.485 . . . . 10.0 109.692 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.8 t -105.22 71.34 0.93 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.601 1.16 . . . . 10.0 110.993 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.657 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.6 t -71.98 -178.08 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 122.269 1.033 . . . . 10.0 108.922 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.657 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -137.7 123.67 20.2 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 120.98 -1.075 . . . . 10.0 109.936 179.53 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.28 138.42 58.24 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 124.507 1.13 . . . . 10.0 109.421 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.9 t -136.2 68.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 105.895 -1.891 . . . . 10.0 105.895 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -46.05 139.13 4.65 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.599 173.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.18 162.05 1.13 Allowed 'General case' 0 C--O 1.242 0.689 0 O-C-N 124.336 1.023 . . . . 10.0 111.29 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -81.44 87.26 6.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.125 -1.065 . . . . 10.0 108.125 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.98 157.9 0.37 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 124.034 0.834 . . . . 10.0 110.756 174.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -117.12 163.24 16.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.613 1.197 . . . . 10.0 110.216 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -131.79 168.08 18.43 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.463 -1.244 . . . . 10.0 110.104 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -130.08 162.54 28.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 114.792 -1.095 . . . . 10.0 110.63 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.04 81.01 6.38 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.874 176.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -66.61 138.47 49.76 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.057 1.838 . . . . 10.0 109.327 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.77 -66.91 0.31 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 117.353 -1.308 . . . . 10.0 111.595 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 . . . . . 0 C--O 1.246 0.898 0 O-C-N 126.405 2.316 . . . . 10.0 109.735 174.403 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.51 -0.594 0 N-CA-C 107.09 -1.448 . . . . 10.0 107.09 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.72 -28.11 67.06 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 120.626 -0.429 . . . . 10.0 111.68 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.11 -48.77 75.54 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -32.1 2.37 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.959 0.885 . . . . 10.0 113.087 175.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -89.76 -42.57 11.22 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 125.199 1.4 . . . . 10.0 109.526 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -30.32 65.52 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.423 1.011 . . . . 10.0 110.959 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -75.8 -38.3 58.36 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 123.346 0.658 . . . . 10.0 112.081 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -44.27 76.66 Favored 'General case' 0 C--O 1.205 -1.278 0 C-N-CA 120.143 -0.623 . . . . 10.0 111.204 175.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -60.85 -52.09 66.53 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 123.758 0.823 . . . . 10.0 112.441 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -60.97 -53.47 56.86 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 122.275 1.036 . . . . 10.0 110.351 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.0 m -64.58 -45.12 88.39 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 124.353 1.061 . . . . 10.0 110.704 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.6 t -55.63 -48.08 75.54 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 108.618 -0.882 . . . . 10.0 108.618 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.466 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 4.4 t-80 -51.35 -40.3 58.84 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 121.662 -0.649 . . . . 10.0 112.748 176.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -66.97 0.29 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 118.664 -0.684 . . . . 10.0 111.829 173.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -64.33 -9.82 20.27 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.246 1.022 . . . . 10.0 112.317 175.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 9.9 t -83.95 -61.76 1.74 Allowed 'General case' 0 C--O 1.218 -0.57 0 O-C-N 120.6 -1.313 . . . . 10.0 110.039 178.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.02 -24.66 3.94 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.633 1.173 . . . . 10.0 111.975 174.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.03 -32.57 34.86 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.531 1.132 . . . . 10.0 110.978 171.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -61.34 -10.09 6.52 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 121.102 -0.999 . . . . 10.0 112.519 176.192 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.8 8.44 87.48 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 125.912 1.72 . . . . 10.0 111.631 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -76.19 178.79 6.14 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 123.376 1.56 . . . . 10.0 111.039 175.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.49 154.63 33.07 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 114.588 -1.187 . . . . 10.0 111.737 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.466 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 48.4 p90 -54.8 -52.61 62.11 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 114.642 -0.779 . . . . 10.0 111.02 176.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.429 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -54.2 -58.83 5.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 122.237 1.018 . . . . 10.0 111.814 -175.226 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.417 ' N ' HG22 ' A' ' 24' ' ' THR . 39.7 t80 -51.77 -47.01 64.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.193 -0.912 . . . . 10.0 110.951 177.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.15 -34.39 77.51 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-O 118.456 -0.783 . . . . 10.0 112.13 175.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -59.1 5.84 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 125.376 1.47 . . . . 10.0 108.818 177.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 ttt -60.77 -14.62 22.55 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.584 0.707 . . . . 10.0 112.253 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.49 -62.96 1.29 Allowed 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 118.267 -0.873 . . . . 10.0 112.406 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.451 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 57.8 m -45.06 -29.81 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 126.512 1.925 . . . . 10.0 111.806 171.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -58.45 -63.27 1.34 Allowed 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.838 173.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -70.49 -22.07 62.7 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.757 0.423 . . . . 10.0 111.636 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.451 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 14.3 t70 -56.76 -72.97 0.07 Allowed 'General case' 0 C--O 1.236 0.373 0 O-C-N 120.619 -1.301 . . . . 10.0 110.43 176.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.1 t -86.95 45.12 1.23 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.5 0.667 . . . . 10.0 110.322 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -170.22 109.04 0.37 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 122.174 0.988 . . . . 10.0 111.413 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.655 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.6 t -74.1 -175.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 122.55 1.167 . . . . 10.0 109.103 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.655 ' H ' HG12 ' A' ' 36' ' ' VAL . 7.7 pttt -154.56 -162.19 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.395 -0.816 . . . . 10.0 109.464 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 39' ' ' VAL . 3.7 t70 -155.1 148.07 24.62 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 177.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 38' ' ' ASP . 24.3 t -155.16 80.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 106.275 -1.75 . . . . 10.0 106.275 178.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -50.06 144.91 6.31 Favored 'General case' 0 C--O 1.224 -0.288 0 O-C-N 122.007 -0.433 . . . . 10.0 110.406 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -124.72 36.31 4.63 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 123.651 1.691 . . . . 10.0 109.961 -176.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -140.33 76.48 1.56 Allowed 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.179 -1.415 . . . . 10.0 107.179 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 pp -46.29 154.48 0.27 Allowed 'General case' 0 C--O 1.233 0.209 0 O-C-N 124.128 0.893 . . . . 10.0 110.349 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.12 124.12 21.49 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.999 -0.741 . . . . 10.0 108.999 -177.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -153.17 159.16 42.64 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.316 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -176.53 115.74 0.11 Allowed 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -124.25 161.74 45.81 Favored Pre-proline 0 N--CA 1.462 0.145 0 CA-C-O 118.969 -0.538 . . . . 10.0 111.358 174.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -70.16 -168.78 0.31 Allowed 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 122.968 2.445 . . . . 10.0 111.29 176.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.42 145.69 31.44 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 123.84 0.856 . . . . 10.0 110.247 176.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 . . . . . 0 C--O 1.248 1.023 0 O-C-N 124.562 1.164 . . . . 10.0 108.947 179.159 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 107.929 -1.137 . . . . 10.0 107.929 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -140.12 112.13 7.58 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 124.154 0.982 . . . . 10.0 108.42 -173.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 170.85 -93.53 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.715 1.206 . . . . 10.0 110.75 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -53.77 -27.66 30.24 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 125.029 1.332 . . . . 10.0 112.178 177.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -83.32 -47.7 11.2 Favored 'General case' 0 C--O 1.215 -0.732 0 C-N-CA 125.366 1.466 . . . . 10.0 112.556 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -57.81 -29.65 65.07 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 123.239 0.616 . . . . 10.0 111.721 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -39.05 47.41 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 124.508 1.123 . . . . 10.0 110.681 175.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -41.21 73.33 Favored 'General case' 0 C--O 1.197 -1.709 0 CA-C-N 119.851 1.205 . . . . 10.0 109.15 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -62.54 -52.45 63.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 121.73 2.059 . . . . 10.0 112.052 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -62.1 -51.45 67.87 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 122.492 1.139 . . . . 10.0 110.231 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.7 m -66.65 -41.63 87.92 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.227 1.011 . . . . 10.0 111.862 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -58.65 -45.15 89.94 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 172.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.473 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 3.2 t-80 -56.52 -36.83 69.66 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 121.025 1.738 . . . . 10.0 113.155 176.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -60.14 4.16 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 117.698 -1.144 . . . . 10.0 112.458 172.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -69.39 -8.02 42.84 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 122.759 1.266 . . . . 10.0 112.784 173.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.0 t -85.43 -60.84 1.91 Allowed 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 119.009 -2.307 . . . . 10.0 108.96 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -24.92 31.19 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 118.03 -0.986 . . . . 10.0 112.213 175.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -50.26 -38.99 43.65 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.317 1.447 . . . . 10.0 112.73 168.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -11.45 3.15 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 113.682 0.993 . . . . 10.0 113.682 173.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.0 7.37 88.66 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 127.437 2.446 . . . . 10.0 111.742 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -69.32 176.19 3.5 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 123.469 1.604 . . . . 10.0 112.275 173.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.96 158.39 36.55 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 114.855 -1.066 . . . . 10.0 112.296 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -61.66 -54.46 42.47 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 125.465 1.506 . . . . 10.0 112.897 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.51 -56.03 18.0 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.083 1.753 . . . . 10.0 111.443 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -57.13 -41.36 78.93 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.722 -0.611 . . . . 10.0 110.805 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.473 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -61.82 -34.02 75.19 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 117.608 -1.187 . . . . 10.0 112.596 174.793 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -66.49 0.54 Allowed 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 126.002 1.721 . . . . 10.0 109.896 176.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -27.07 7.97 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.462 1.028 . . . . 10.0 112.618 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -80.62 -64.17 1.25 Allowed 'General case' 0 C--O 1.209 -1.062 0 CA-C-O 115.828 -2.034 . . . . 10.0 111.469 174.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 67.3 m -47.51 -29.55 2.86 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.533 1.933 . . . . 10.0 113.864 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -59.31 -64.22 1.02 Allowed 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 126.951 2.101 . . . . 10.0 110.603 172.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.415 ' HA ' ' HB3' ' A' ' 35' ' ' SER . 1.2 m -71.81 -18.75 62.07 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.012 -0.995 . . . . 10.0 112.031 176.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -60.77 -71.41 0.14 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 118.409 -2.682 . . . . 10.0 109.162 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 68.8 m -84.8 47.56 1.41 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.893 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.415 ' HB3' ' HA ' ' A' ' 32' ' ' THR . 53.7 p -93.81 90.26 6.47 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 123.434 1.588 . . . . 10.0 111.216 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.681 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.5 t -72.35 -175.51 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 122.51 1.148 . . . . 10.0 109.911 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.681 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -68.85 86.01 0.33 Allowed 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.556 -1.34 . . . . 10.0 110.671 175.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.38 135.06 34.04 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.12 0.968 . . . . 10.0 109.983 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.9 t -154.95 83.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 106.191 -1.781 . . . . 10.0 106.191 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.75 121.24 2.29 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.593 0.757 . . . . 10.0 111.415 173.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -74.73 175.85 7.56 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 122.326 1.06 . . . . 10.0 111.004 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.23 80.47 8.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.732 -0.84 . . . . 10.0 108.732 175.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.73 140.57 2.44 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.178 0.591 . . . . 10.0 110.618 175.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -132.35 158.77 41.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.471 -0.786 . . . . 10.0 108.901 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 177.67 -175.57 0.16 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.34 1.456 . . . . 10.0 109.67 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -151.6 -172.11 4.12 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.702 1.201 . . . . 10.0 109.972 -177.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.0 85.38 5.11 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.219 1.407 . . . . 10.0 110.408 175.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -65.82 143.9 75.34 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 121.7 1.6 . . . . 10.0 109.276 176.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.58 131.15 14.28 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.096 0.559 . . . . 10.0 110.279 173.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t30 . . . . . 0 C--O 1.254 1.342 0 O-C-N 125.642 1.839 . . . . 10.0 111.424 174.832 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 116.034 -1.936 . . . . 10.0 106.002 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 68.46 -53.29 0.55 Allowed 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.455 1.025 . . . . 10.0 113.169 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.92 -45.11 50.67 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 126.138 1.775 . . . . 10.0 113.067 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -47.31 -34.74 7.07 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.704 1.372 . . . . 10.0 114.704 171.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -87.43 -43.11 12.32 Favored 'General case' 0 C--O 1.212 -0.881 0 C-N-CA 127.053 2.141 . . . . 10.0 109.698 173.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -57.17 -31.75 65.71 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 121.095 1.77 . . . . 10.0 112.412 177.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.26 -39.17 63.19 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.335 1.054 . . . . 10.0 111.779 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -43.81 77.75 Favored 'General case' 0 C--O 1.199 -1.567 0 CA-C-N 119.499 1.045 . . . . 10.0 110.436 175.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -61.41 -52.85 62.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 120.865 1.666 . . . . 10.0 112.134 177.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -60.01 -52.8 63.83 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 122.613 1.197 . . . . 10.0 110.791 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.3 m -66.29 -44.91 82.2 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.53 1.132 . . . . 10.0 110.886 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.2 t -56.65 -45.03 81.85 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 173.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.401 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 4.0 t-80 -55.39 -36.69 66.67 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 123.921 0.888 . . . . 10.0 113.214 175.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -65.76 0.52 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.944 0.793 . . . . 10.0 112.695 171.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -64.92 -10.43 28.89 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 122.596 1.189 . . . . 10.0 113.081 173.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.1 t -83.9 -60.12 2.21 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 119.492 -2.005 . . . . 10.0 111.605 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.11 -24.27 17.08 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 117.207 -1.377 . . . . 10.0 112.489 173.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -50.9 -37.63 44.95 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.522 1.529 . . . . 10.0 112.238 167.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -11.04 3.06 Favored 'General case' 0 C--N 1.342 0.247 0 O-C-N 120.827 -1.171 . . . . 10.0 113.994 173.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.79 15.43 79.32 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 126.974 2.226 . . . . 10.0 111.339 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -77.37 174.94 10.24 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 123.0 1.381 . . . . 10.0 112.151 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.55 145.51 30.41 Favored Glycine 0 C--N 1.329 0.18 0 CA-C-N 115.32 -0.855 . . . . 10.0 111.569 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 8.9 p90 -46.39 -52.38 13.07 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 124.902 1.281 . . . . 10.0 110.429 174.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -57.44 12.39 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.02 1.328 . . . . 10.0 111.991 -175.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -55.57 -50.5 69.91 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.795 -0.566 . . . . 10.0 110.355 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.6 -32.61 69.15 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-O 117.354 -1.307 . . . . 10.0 113.273 174.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -66.49 0.54 Allowed 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 128.166 2.586 . . . . 10.0 108.839 176.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.5 mtp -54.01 -29.86 45.19 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.475 0.58 . . . . 10.0 112.547 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -76.42 -59.78 2.62 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 116.868 -1.539 . . . . 10.0 112.333 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.4 m -47.1 -28.89 1.92 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 126.632 1.973 . . . . 10.0 113.41 170.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -59.6 -63.21 1.38 Allowed 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 125.114 1.365 . . . . 10.0 110.937 172.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -71.25 -21.99 62.04 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.172 0.589 . . . . 10.0 111.856 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -56.2 -71.23 0.09 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 119.676 -1.89 . . . . 10.0 111.287 174.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -85.62 45.36 1.19 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 122.238 1.018 . . . . 10.0 110.779 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 t -166.42 97.19 0.58 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.28 1.432 . . . . 10.0 111.308 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.585 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.6 t -73.24 -178.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 119.721 -1.862 . . . . 10.0 108.994 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.585 ' H ' HG12 ' A' ' 36' ' ' VAL . 4.3 ttpt -167.15 145.51 4.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 124.506 1.122 . . . . 10.0 108.848 177.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -111.71 150.96 29.48 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 124.658 1.183 . . . . 10.0 110.05 175.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -149.69 80.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 106.468 -1.679 . . . . 10.0 106.468 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -50.86 132.87 26.97 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.059 0.544 . . . . 10.0 110.605 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.53 158.15 17.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.648 0.737 . . . . 10.0 109.344 -177.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -79.18 79.38 5.6 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.718 -1.215 . . . . 10.0 107.718 174.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.695 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -45.29 159.06 0.06 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.921 1.288 . . . . 10.0 109.838 174.073 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.607 ' N ' HD22 ' A' ' 43' ' ' LEU . 2.8 mm-40 -161.53 154.03 20.16 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.577 -0.897 . . . . 10.0 108.577 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 177.12 138.15 0.07 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 124.56 1.144 . . . . 10.0 109.066 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -175.49 159.59 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -133.16 162.71 55.99 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-O 119.146 -0.454 . . . . 10.0 112.049 173.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -71.1 -174.78 1.26 Allowed 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 122.779 2.32 . . . . 10.0 110.466 176.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.26 140.74 18.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.178 -1.416 . . . . 10.0 107.178 176.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 C--O 1.257 1.492 0 O-C-N 124.813 1.321 . . . . 10.0 112.547 172.741 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.502 -0.868 0 N-CA-C 107.52 -1.289 . . . . 10.0 107.52 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 73.35 -53.23 0.7 Allowed 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 125.516 1.526 . . . . 10.0 110.076 175.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.13 -48.47 44.63 Favored 'General case' 0 C--O 1.218 -0.574 0 C-N-CA 124.788 1.235 . . . . 10.0 111.882 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -44.93 -33.1 1.86 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.466 0.913 . . . . 10.0 113.466 174.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -89.46 -42.37 11.52 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 125.561 1.544 . . . . 10.0 110.589 174.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -56.76 -29.9 63.06 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 120.189 1.359 . . . . 10.0 111.59 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -78.37 -34.74 48.07 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 123.931 0.892 . . . . 10.0 111.17 174.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.54 -43.19 66.86 Favored 'General case' 0 C--O 1.197 -1.677 0 CA-C-O 118.2 -0.905 . . . . 10.0 110.045 175.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -62.49 -51.65 66.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 120.314 1.416 . . . . 10.0 111.526 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -61.3 -52.39 64.9 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 122.407 1.099 . . . . 10.0 110.211 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.4 m -64.69 -44.96 88.63 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.235 -0.893 . . . . 10.0 110.819 -178.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.1 t -56.61 -46.16 81.07 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.786 -0.82 . . . . 10.0 108.786 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -53.31 -40.42 64.77 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 118.304 -0.855 . . . . 10.0 111.298 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -66.48 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 118.939 0.79 . . . . 10.0 111.725 174.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.76 -13.19 30.09 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-O 123.205 1.479 . . . . 10.0 112.404 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.3 t -81.05 -64.78 1.11 Allowed 'General case' 0 N--CA 1.439 -1.015 0 O-C-N 119.376 -2.077 . . . . 10.0 110.223 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -24.78 5.18 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 125.078 1.351 . . . . 10.0 111.23 175.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.47 -36.76 45.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.236 1.014 . . . . 10.0 111.736 170.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -12.71 4.3 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.257 -0.902 . . . . 10.0 112.966 175.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.52 15.57 77.81 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 125.67 1.605 . . . . 10.0 110.123 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -78.9 178.91 7.61 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 122.584 1.183 . . . . 10.0 111.478 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.92 150.3 35.72 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.382 -0.826 . . . . 10.0 111.887 174.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -57.14 -56.06 26.65 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 117.824 -1.084 . . . . 10.0 110.533 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -49.23 -59.29 3.8 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 124.445 1.098 . . . . 10.0 111.192 -179.704 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.448 ' N ' HG22 ' A' ' 24' ' ' THR . 27.0 t80 -54.11 -49.46 69.07 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.749 -0.594 . . . . 10.0 110.126 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -33.71 70.46 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 118.185 -0.912 . . . . 10.0 111.399 176.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -65.57 0.66 Allowed 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 126.211 1.804 . . . . 10.0 109.797 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -30.28 40.13 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.35 0.595 . . . . 10.0 111.963 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -62.17 1.67 Allowed 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 116.158 -1.877 . . . . 10.0 111.794 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 52.7 m -46.49 -28.51 1.42 Allowed 'General case' 0 CA--C 1.535 0.394 0 O-C-N 125.335 1.647 . . . . 10.0 111.349 173.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.86 -62.0 2.2 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 123.94 0.896 . . . . 10.0 110.741 174.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -70.93 -25.0 62.56 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 118.506 -0.759 . . . . 10.0 111.81 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.417 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 23.1 t70 -54.49 -73.02 0.05 Allowed 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.962 1.305 . . . . 10.0 110.111 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 t -83.37 58.84 4.72 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.93 125.41 12.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.882 1.325 . . . . 10.0 109.586 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.666 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.6 t -77.56 -175.61 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 115.217 -0.901 . . . . 10.0 108.86 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.666 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -173.13 121.88 0.38 Allowed 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 178.38 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -127.5 163.37 24.28 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 124.053 0.846 . . . . 10.0 109.047 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.4 t -146.03 72.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.263 -1.384 . . . . 10.0 107.263 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -45.28 125.59 5.62 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 121.975 -0.453 . . . . 10.0 110.538 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.95 162.48 21.49 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.922 0.868 . . . . 10.0 109.65 -177.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.45 77.09 8.35 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.08 124.13 3.72 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.608 0.763 . . . . 10.0 109.883 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -171.6 142.91 1.66 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -172.82 146.3 1.57 Allowed 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 177.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -177.66 114.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.2 155.48 40.12 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.342 175.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -72.11 -173.76 1.18 Allowed 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 122.596 2.197 . . . . 10.0 111.821 177.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -106.93 -58.68 1.91 Allowed 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 117.355 -1.307 . . . . 10.0 110.005 176.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 . . . . . 0 C--O 1.243 0.737 0 O-C-N 125.31 1.631 . . . . 10.0 110.485 179.631 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 . . . . . 0 CA--C 1.501 -0.93 0 N-CA-C 108.208 -1.034 . . . . 10.0 108.208 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 72.99 -56.45 0.66 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.254 0.479 . . . . 10.0 111.636 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.7 82.13 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.859 1.663 . . . . 10.0 111.57 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -30.87 4.98 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 176.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.422 ' CE2' ' O ' ' A' ' 34' ' ' CYS . 20.5 t80 -86.2 -45.07 11.66 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.332 1.053 . . . . 10.0 112.996 173.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -55.37 -28.86 56.64 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 118.957 0.799 . . . . 10.0 111.577 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -78.5 -36.93 44.3 Favored 'General case' 0 C--O 1.21 -0.985 0 C-N-CA 123.665 0.786 . . . . 10.0 110.546 174.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -70.0 -42.78 72.58 Favored 'General case' 0 C--O 1.199 -1.561 0 CA-C-N 119.83 1.195 . . . . 10.0 110.144 176.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.422 ' CE1' ' HG2' ' A' ' 27' ' ' GLU . 26.0 t80 -62.91 -52.05 64.55 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 120.884 1.674 . . . . 10.0 111.394 178.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -61.47 -52.14 65.76 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 122.322 1.058 . . . . 10.0 110.036 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.4 m -64.85 -45.03 87.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.632 0.773 . . . . 10.0 110.901 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 42.2 t -57.29 -45.36 84.2 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.454 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.7 t-80 -54.4 -39.25 67.07 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 117.856 -1.068 . . . . 10.0 110.802 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -55.22 -69.76 0.12 Allowed 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 118.05 -0.976 . . . . 10.0 111.818 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.91 -17.13 35.02 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 123.033 1.396 . . . . 10.0 112.56 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.2 t -77.28 -70.56 0.46 Allowed 'General case' 0 N--CA 1.435 -1.22 0 O-C-N 120.025 -1.672 . . . . 10.0 109.701 176.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -24.25 9.31 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 125.051 1.34 . . . . 10.0 110.942 177.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -51.7 -36.31 46.17 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.655 1.182 . . . . 10.0 111.286 171.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -13.52 5.17 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 120.836 -1.165 . . . . 10.0 112.965 175.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.81 17.71 65.08 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 126.469 1.985 . . . . 10.0 110.167 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -78.53 179.01 7.33 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 122.627 1.203 . . . . 10.0 111.745 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.5 151.04 37.46 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.85 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -57.41 -57.54 12.22 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 117.253 -1.356 . . . . 10.0 111.118 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -48.99 -59.11 3.89 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 125.309 1.631 . . . . 10.0 110.593 179.82 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.41 ' N ' HG22 ' A' ' 24' ' ' THR . 42.7 t80 -54.05 -47.11 71.95 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 122.847 0.459 . . . . 10.0 110.463 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.454 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -59.27 -36.82 76.22 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-O 118.243 -0.884 . . . . 10.0 111.669 175.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -67.4 -67.52 0.45 Allowed 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 126.298 1.839 . . . . 10.0 110.843 177.199 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mmt -47.45 -28.81 2.31 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 124.487 1.115 . . . . 10.0 112.385 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -66.58 0.86 Allowed 'General case' 0 CA--C 1.498 -1.037 0 CA-C-O 115.788 -2.053 . . . . 10.0 111.596 174.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 59.0 m -45.07 -27.63 0.6 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.155 1.382 . . . . 10.0 112.119 176.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -60.46 -62.52 1.8 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.778 1.631 . . . . 10.0 110.352 174.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -73.5 -25.3 60.37 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.457 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.06 -71.06 0.08 Allowed 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.749 1.22 . . . . 10.0 109.933 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.422 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 1.8 t -93.04 95.54 9.52 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.1 p -174.96 120.05 0.2 Allowed 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 123.296 1.522 . . . . 10.0 110.003 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.673 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.5 t -76.3 -173.65 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 O-C-N 120.573 -1.329 . . . . 10.0 109.188 178.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.673 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -136.69 144.89 44.16 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 120.863 -1.148 . . . . 10.0 109.826 177.449 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.86 161.03 4.14 Favored 'General case' 0 C--O 1.242 0.667 0 O-C-N 124.54 1.15 . . . . 10.0 109.944 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.4 p -108.56 48.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 121.649 -0.657 . . . . 10.0 111.687 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 mttt 173.34 -88.45 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 124.372 1.069 . . . . 10.0 110.016 -177.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -157.85 150.37 22.57 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 123.851 0.72 . . . . 10.0 109.588 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -83.98 63.79 7.78 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 108.987 -0.745 . . . . 10.0 108.987 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.51 155.03 0.16 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.422 0.63 . . . . 10.0 110.405 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.37 85.39 2.12 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.42 -1.326 . . . . 10.0 107.42 -176.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -51.3 169.48 0.05 Allowed 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 123.165 1.46 . . . . 10.0 111.004 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.432 ' CD2' ' HD3' ' A' ' 48' ' ' PRO . 14.3 p90 -140.46 149.06 42.07 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 120.955 -1.091 . . . . 10.0 109.639 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -129.48 84.65 61.2 Favored Pre-proline 0 C--O 1.234 0.259 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.432 ' HD3' ' CD2' ' A' ' 46' ' ' TYR . 17.8 Cg_endo -71.7 143.42 41.84 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.987 1.792 . . . . 10.0 109.446 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.5 -77.63 0.02 OUTLIER 'General case' 0 C--O 1.234 0.276 0 CA-C-O 117.88 -1.057 . . . . 10.0 111.211 178.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 . . . . . 0 C--O 1.255 1.37 0 O-C-N 125.355 1.659 . . . . 10.0 111.492 175.004 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 107.354 -1.35 . . . . 10.0 107.354 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 68.08 -64.79 0.28 Allowed 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 125.183 1.393 . . . . 10.0 111.114 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.69 -48.12 69.82 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 125.558 1.543 . . . . 10.0 112.419 175.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -48.08 -31.74 5.91 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.432 0.901 . . . . 10.0 113.432 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -87.71 -43.06 12.2 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 125.577 1.551 . . . . 10.0 110.686 174.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -35.44 54.66 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 120.656 1.571 . . . . 10.0 110.148 176.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.58 -38.56 62.62 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 117.731 -1.128 . . . . 10.0 110.229 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.86 -43.04 76.22 Favored 'General case' 0 C--O 1.195 -1.764 0 CA-C-O 117.608 -1.187 . . . . 10.0 109.805 175.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 27' ' ' GLU . 26.3 t80 -62.42 -52.59 62.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 120.847 1.658 . . . . 10.0 111.578 178.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -61.18 -51.99 66.72 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 122.735 1.255 . . . . 10.0 110.224 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -65.2 -45.11 86.12 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.403 -0.817 . . . . 10.0 111.005 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.3 t -56.9 -46.49 81.9 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.688 -1.227 . . . . 10.0 107.688 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -54.27 -37.66 64.95 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 119.466 1.03 . . . . 10.0 111.542 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -69.87 0.14 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 117.906 -1.045 . . . . 10.0 112.267 173.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.53 -17.7 23.49 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 122.782 1.277 . . . . 10.0 112.421 175.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.1 t -78.38 -66.8 0.81 Allowed 'General case' 0 N--CA 1.438 -1.06 0 O-C-N 119.676 -1.89 . . . . 10.0 110.246 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -23.65 20.89 Favored 'General case' 0 C--O 1.225 -0.203 0 O-C-N 120.857 -1.152 . . . . 10.0 111.103 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -52.31 -36.48 53.32 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.995 1.318 . . . . 10.0 111.758 170.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -12.06 5.77 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 121.331 -0.856 . . . . 10.0 113.291 174.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.36 18.98 67.58 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 126.538 2.018 . . . . 10.0 110.702 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -78.21 177.38 8.43 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 122.609 1.195 . . . . 10.0 111.824 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.87 147.03 34.52 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.624 174.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -52.28 -58.91 5.18 Favored 'General case' 0 C--O 1.219 -0.502 0 C-N-CA 124.445 1.098 . . . . 10.0 111.189 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.02 -58.14 6.11 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 125.45 1.5 . . . . 10.0 110.781 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.46 -47.83 69.39 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 122.816 0.446 . . . . 10.0 110.591 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.54 -37.11 74.98 Favored 'General case' 0 N--CA 1.433 -1.277 0 O-C-N 123.672 0.608 . . . . 10.0 112.009 176.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 1.2 mt-10 -67.66 -67.07 0.49 Allowed 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 125.986 1.714 . . . . 10.0 111.625 176.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.32 -28.93 3.44 Favored 'General case' 0 N--CA 1.461 0.103 0 C-N-CA 124.621 1.169 . . . . 10.0 111.995 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -80.35 -63.86 1.31 Allowed 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 114.753 -2.546 . . . . 10.0 111.931 174.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.6 m -44.74 -29.98 0.87 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.032 1.733 . . . . 10.0 112.55 175.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -57.44 -63.0 1.38 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.903 1.681 . . . . 10.0 110.727 173.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 m -74.25 -27.13 60.62 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.949 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -55.26 -66.15 0.46 Allowed 'General case' 0 C--O 1.233 0.208 0 C-N-CA 126.668 1.987 . . . . 10.0 109.524 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.4 m -81.41 46.87 0.98 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.775 176.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -165.09 57.23 0.12 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 122.991 1.376 . . . . 10.0 110.532 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.652 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.6 t -75.39 -177.37 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 O-C-N 120.986 -1.071 . . . . 10.0 108.48 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.652 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -177.41 113.23 0.08 Allowed 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.294 -1.002 . . . . 10.0 108.294 178.821 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -42.92 123.33 2.72 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 124.371 1.044 . . . . 10.0 110.535 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.553 ' O ' HG12 ' A' ' 39' ' ' VAL . 5.7 t -153.65 81.26 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.398 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 -176.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 167.74 104.35 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.139 0.976 . . . . 10.0 109.903 -177.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -57.02 165.99 1.14 Allowed 'General case' 0 C--O 1.245 0.858 0 CA-C-O 122.36 1.076 . . . . 10.0 111.718 176.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.82 66.59 6.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.09 177.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.619 ' O ' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -40.78 128.86 2.62 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 124.449 1.1 . . . . 10.0 108.922 175.881 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 178.26 -43.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 122.341 0.257 . . . . 10.0 110.455 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -45.05 149.85 0.44 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 122.71 1.243 . . . . 10.0 111.98 174.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.27 141.56 10.9 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.488 -0.778 . . . . 10.0 109.281 -176.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -86.78 153.92 55.42 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.861 -0.608 . . . . 10.0 111.163 176.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -71.36 162.7 41.54 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 122.359 2.039 . . . . 10.0 111.175 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.78 166.61 11.39 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.4 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--O 1.237 0.444 0 C-N-CA 124.436 1.094 . . . . 10.0 112.03 177.336 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 122.008 0.909 . . . . 10.0 109.115 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.28 -38.61 5.21 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.38 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.6 -45.27 75.97 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.61 0.967 . . . . 10.0 113.61 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -49.45 -33.24 13.71 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.397 1.094 . . . . 10.0 113.217 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -87.72 -47.25 8.8 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 126.873 2.069 . . . . 10.0 111.144 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -39.61 58.49 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.375 1.443 . . . . 10.0 110.796 175.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -70.71 -42.65 70.32 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 124.89 1.276 . . . . 10.0 111.04 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -44.81 90.43 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-O 118.82 -0.61 . . . . 10.0 110.866 173.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -60.95 -54.5 44.26 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 125.459 1.503 . . . . 10.0 112.477 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.54 -50.42 73.61 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.828 1.251 . . . . 10.0 111.309 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.7 m -69.08 -42.2 76.51 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.29 1.436 . . . . 10.0 112.346 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.4 t -58.95 -44.38 91.42 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 108.728 -0.842 . . . . 10.0 108.728 169.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 17' ' ' SER . 5.8 t-80 -56.75 -31.3 64.44 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.075 -1.641 . . . . 10.0 114.304 176.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.43 -68.88 0.26 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.225 1.81 . . . . 10.0 112.197 170.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -62.13 -14.84 41.07 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 122.733 1.254 . . . . 10.0 113.795 175.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.4 t -81.27 -60.02 2.43 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 119.638 -1.914 . . . . 10.0 112.654 173.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -59.75 -24.21 63.87 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.831 -1.168 . . . . 10.0 112.251 174.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -50.15 -41.19 48.55 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 126.451 1.9 . . . . 10.0 111.977 166.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -9.03 1.07 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.856 1.428 . . . . 10.0 114.856 173.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.75 17.73 76.78 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 128.088 2.756 . . . . 10.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -77.03 170.41 16.58 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.539 1.162 . . . . 10.0 112.105 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.87 146.07 42.67 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 115.367 -0.833 . . . . 10.0 111.61 173.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -50.2 -57.88 6.8 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.523 1.529 . . . . 10.0 112.218 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 m -52.94 -55.41 23.64 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 127.34 2.256 . . . . 10.0 111.897 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -54.12 -49.36 69.35 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 122.754 0.422 . . . . 10.0 110.538 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -36.71 75.68 Favored 'General case' 0 C--O 1.205 -1.25 0 CA-C-O 117.875 -1.06 . . . . 10.0 113.492 175.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.18 -69.48 0.29 Allowed 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 126.933 2.093 . . . . 10.0 111.338 174.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -30.46 2.26 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.201 1.8 . . . . 10.0 113.209 176.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -62.83 1.54 Allowed 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 117.151 -1.404 . . . . 10.0 111.918 170.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 67.0 m -46.78 -29.05 1.74 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.689 1.996 . . . . 10.0 115.212 175.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -57.89 -65.53 0.62 Allowed 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 128.356 2.662 . . . . 10.0 110.414 169.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -72.19 -26.05 61.91 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 118.19 -0.91 . . . . 10.0 112.94 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -53.54 -69.99 0.1 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 128.268 2.627 . . . . 10.0 110.997 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.3 t -88.62 88.71 7.7 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.816 -1.179 . . . . 10.0 107.816 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -120.64 105.01 10.38 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.062 1.345 . . . . 10.0 109.101 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.649 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.5 t -71.49 -175.45 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-O 122.725 1.25 . . . . 10.0 109.977 177.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.649 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -133.09 -171.33 2.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.064 -1.023 . . . . 10.0 110.622 175.685 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.6 140.59 33.57 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.37 1.468 . . . . 10.0 109.284 175.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -103.09 51.18 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 127.356 2.263 . . . . 10.0 110.004 173.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -50.42 142.81 9.87 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 121.184 -0.948 . . . . 10.0 112.387 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -76.76 -179.95 5.7 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 114.286 -1.324 . . . . 10.0 111.142 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.06 85.6 2.42 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 124.336 1.055 . . . . 10.0 108.167 173.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 44' ' ' GLU . 1.3 pp -48.86 144.39 4.62 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 124.358 1.036 . . . . 10.0 111.362 173.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.42 ' O ' HD12 ' A' ' 43' ' ' LEU . 8.1 pt-20 -90.64 167.02 12.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 122.135 0.969 . . . . 10.0 111.065 -178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -164.73 149.55 9.55 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -135.68 178.46 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.725 0.774 . . . . 10.0 110.964 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.19 75.05 4.85 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.821 173.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -62.25 154.67 61.63 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 N-CA-C 108.967 -1.205 . . . . 10.0 108.967 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.42 153.74 2.83 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.148 0.979 . . . . 10.0 111.666 173.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.252 23.8 t-20 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 117.049 -1.453 . . . . 10.0 109.232 171.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 117.565 -1.207 . . . . 10.0 107.767 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 69.51 -60.38 0.47 Allowed 'General case' 0 C--O 1.215 -0.763 0 C-N-CA 125.251 1.42 . . . . 10.0 111.047 176.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.41 -48.06 47.44 Favored 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 125.694 1.598 . . . . 10.0 112.34 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.16 -32.09 2.77 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 174.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.437 ' CE2' ' O ' ' A' ' 34' ' ' CYS . 32.4 t80 -88.19 -43.76 11.38 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 125.058 1.343 . . . . 10.0 112.98 173.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -55.82 -29.68 60.17 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 119.186 0.903 . . . . 10.0 111.316 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.54 -37.93 55.87 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 118.019 -0.991 . . . . 10.0 111.067 174.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -43.33 71.88 Favored 'General case' 0 C--O 1.196 -1.717 0 CA-C-N 119.581 1.082 . . . . 10.0 109.901 176.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -61.79 -51.82 66.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 120.813 1.642 . . . . 10.0 111.664 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -61.76 -52.78 62.81 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 122.972 1.368 . . . . 10.0 109.899 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.9 m -64.45 -44.5 90.91 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.902 -1.044 . . . . 10.0 110.951 -178.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.6 t -57.11 -46.89 82.26 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 107.767 -1.197 . . . . 10.0 107.767 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.476 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 4.6 t-80 -52.95 -39.53 62.98 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 119.222 0.919 . . . . 10.0 111.724 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -53.7 -65.74 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 118.04 -0.981 . . . . 10.0 112.358 174.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.62 -12.87 25.79 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 124.478 1.111 . . . . 10.0 112.539 173.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.3 t -83.07 -60.95 1.99 Allowed 'General case' 0 N--CA 1.439 -0.996 0 O-C-N 119.597 -1.939 . . . . 10.0 109.45 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -25.54 5.83 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 125.686 1.594 . . . . 10.0 111.705 174.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.78 -32.89 21.23 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.98 0.912 . . . . 10.0 112.536 170.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -11.87 7.28 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.528 0.731 . . . . 10.0 112.617 174.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.8 7.29 88.21 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 126.775 2.131 . . . . 10.0 111.043 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -73.72 179.04 4.39 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 123.475 1.607 . . . . 10.0 111.79 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.16 155.03 32.38 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 114.882 -1.054 . . . . 10.0 111.73 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.476 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 43.4 p90 -57.38 -48.47 78.97 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 117.303 -1.332 . . . . 10.0 111.054 176.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.415 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -59.3 -55.2 37.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 122.262 1.029 . . . . 10.0 110.13 -174.699 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -55.36 -47.44 75.76 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 121.571 -0.705 . . . . 10.0 110.353 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.63 -32.88 73.98 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-O 118.336 -0.84 . . . . 10.0 111.635 175.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -59.2 5.76 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 126.227 1.811 . . . . 10.0 108.85 177.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.4 mtt -62.52 -11.74 18.22 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 113.159 0.8 . . . . 10.0 113.159 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.32 -64.15 1.11 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 117.354 -1.308 . . . . 10.0 112.387 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.1 m -44.59 -30.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 127.021 2.128 . . . . 10.0 111.532 171.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -58.98 -62.05 2.17 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 123.642 0.777 . . . . 10.0 110.941 172.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -68.3 -27.39 66.26 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-O 118.24 -0.886 . . . . 10.0 111.614 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -54.72 -75.18 0.03 OUTLIER 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.43 1.092 . . . . 10.0 110.015 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.437 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 6.0 t -91.85 92.44 8.36 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 105.463 -2.051 . . . . 10.0 105.463 -175.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.68 141.76 0.39 Allowed 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 122.696 1.236 . . . . 10.0 109.562 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.668 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.6 t -77.46 -175.63 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-O 122.711 1.243 . . . . 10.0 109.066 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.668 ' H ' HG12 ' A' ' 36' ' ' VAL . 2.7 tttm -149.06 -147.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 120.852 -1.155 . . . . 10.0 109.649 177.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.84 122.32 39.19 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.134 0.974 . . . . 10.0 109.576 177.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 39' ' ' VAL . 9.8 p -118.32 61.87 0.2 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-O 121.944 0.878 . . . . 10.0 109.626 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.87 116.77 1.15 Allowed 'General case' 0 N--CA 1.464 0.23 0 O-C-N 121.236 -0.915 . . . . 10.0 110.808 -178.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.19 111.94 9.85 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 106.953 -1.499 . . . . 10.0 106.953 -175.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -48.93 106.7 0.11 Allowed 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 123.62 0.768 . . . . 10.0 109.165 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 43' ' ' LEU . 12.0 mt -159.26 131.03 6.35 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.488 1.515 . . . . 10.0 109.31 -177.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -143.03 173.35 11.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.402 -0.817 . . . . 10.0 110.187 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -53.71 178.88 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 123.531 1.634 . . . . 10.0 112.065 173.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -112.62 -172.12 1.99 Allowed 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.87 -1.059 . . . . 10.0 112.222 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.08 74.72 5.55 Favored Pre-proline 0 C--O 1.237 0.429 0 C-N-CA 123.337 0.655 . . . . 10.0 110.519 175.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -66.5 151.1 83.71 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 121.016 1.144 . . . . 10.0 109.243 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.1 165.26 0.23 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.652 -0.703 . . . . 10.0 109.567 174.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 CA--C 1.57 1.715 0 O-C-N 125.188 1.555 . . . . 10.0 114.133 177.927 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 107.781 -1.192 . . . . 10.0 107.781 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -174.86 117.68 0.18 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 -174.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.17 -95.1 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.861 -0.59 . . . . 10.0 109.824 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -54.59 -24.27 20.51 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 123.812 0.845 . . . . 10.0 111.653 178.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -90.77 -44.51 9.4 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.547 1.139 . . . . 10.0 112.043 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -59.25 -27.77 66.1 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 118.455 0.57 . . . . 10.0 111.246 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.63 -35.35 39.56 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 117.759 -1.115 . . . . 10.0 110.845 175.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.77 -41.63 64.84 Favored 'General case' 0 C--O 1.196 -1.731 0 CA-C-N 119.335 0.971 . . . . 10.0 109.602 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.415 ' CE1' ' HG2' ' A' ' 27' ' ' GLU . 24.7 t80 -63.33 -51.16 67.13 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 120.388 1.449 . . . . 10.0 111.05 178.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -63.09 -50.37 70.81 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 122.333 1.064 . . . . 10.0 110.394 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -65.75 -44.67 85.23 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.393 -0.822 . . . . 10.0 110.889 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.569 ' HG ' ' HG ' ' A' ' 30' ' ' CYS . 47.7 t -57.48 -46.37 83.77 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 107.778 -1.193 . . . . 10.0 107.778 175.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -53.81 -39.08 65.2 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 117.791 -1.099 . . . . 10.0 111.011 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.65 -70.82 0.1 Allowed 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 117.825 -1.083 . . . . 10.0 111.901 174.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.03 -17.68 27.61 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 123.711 1.72 . . . . 10.0 112.133 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.2 t -77.26 -69.14 0.55 Allowed 'General case' 0 N--CA 1.435 -1.208 0 O-C-N 119.265 -2.147 . . . . 10.0 109.953 177.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -24.66 11.56 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 124.769 1.228 . . . . 10.0 110.879 177.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.88 -38.92 57.98 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.444 1.098 . . . . 10.0 111.369 171.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -12.99 3.94 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 121.102 -0.999 . . . . 10.0 113.05 175.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.95 20.75 67.17 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 125.938 1.732 . . . . 10.0 109.877 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -76.18 178.92 6.04 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.871 1.32 . . . . 10.0 111.642 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.08 132.07 11.83 Favored Glycine 0 C--O 1.223 -0.571 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 175.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.01 -61.49 0.86 Allowed 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 125.281 1.432 . . . . 10.0 113.065 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.81 -56.69 6.87 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 125.215 1.406 . . . . 10.0 110.691 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.8 -45.77 74.39 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 123.031 0.533 . . . . 10.0 110.882 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -58.5 -37.76 76.25 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-O 118.472 -0.775 . . . . 10.0 111.739 175.085 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -67.49 -67.75 0.43 Allowed 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 125.339 1.456 . . . . 10.0 111.588 176.273 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.88 -29.28 1.92 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.342 1.057 . . . . 10.0 112.286 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -64.1 1.26 Allowed 'General case' 0 C--O 1.212 -0.885 0 CA-C-O 115.954 -1.974 . . . . 10.0 112.174 174.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.569 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 54.9 m -45.63 -27.9 0.88 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.135 1.374 . . . . 10.0 112.234 175.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -61.64 -61.91 2.19 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.034 1.334 . . . . 10.0 110.921 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.07 -22.01 60.67 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.469 -0.787 . . . . 10.0 111.741 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -54.34 -73.48 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.543 1.537 . . . . 10.0 109.651 178.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.4 m -79.42 85.2 5.24 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 107.685 -1.228 . . . . 10.0 107.685 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.45 132.51 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.259 1.028 . . . . 10.0 108.904 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.674 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.5 t -76.06 -174.66 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-O 122.321 1.058 . . . . 10.0 109.314 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.674 ' H ' HG12 ' A' ' 36' ' ' VAL . 41.9 pttt -138.29 -156.62 0.7 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.253 -0.905 . . . . 10.0 110.477 177.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -84.25 166.41 17.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 122.01 0.91 . . . . 10.0 111.907 174.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 39' ' ' VAL . 9.5 p -118.58 66.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 122.143 0.973 . . . . 10.0 108.651 177.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.16 156.11 0.11 Allowed 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.5 -0.75 . . . . 10.0 110.939 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.82 162.85 0.82 Allowed 'General case' 0 C--O 1.242 0.7 0 CA-C-O 122.156 0.979 . . . . 10.0 111.286 -177.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.24 82.93 3.79 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.589 -1.263 . . . . 10.0 107.589 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -44.55 151.09 0.29 Allowed 'General case' 0 C--O 1.236 0.394 0 O-C-N 124.277 0.986 . . . . 10.0 110.984 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -159.25 172.12 18.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.905 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -164.49 167.59 19.31 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 122.778 1.275 . . . . 10.0 110.405 179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -145.06 169.74 17.53 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.377 -0.829 . . . . 10.0 110.624 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.53 71.54 14.13 Favored Pre-proline 0 C--O 1.232 0.174 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.276 175.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -71.05 133.18 22.68 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 121.893 1.729 . . . . 10.0 109.557 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -51.02 145.6 7.23 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 108.844 -0.799 . . . . 10.0 108.844 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.7 t30 . . . . . 0 CA--C 1.544 0.749 0 O-C-N 125.61 1.819 . . . . 10.0 111.525 176.325 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 . . . . . 0 CA--C 1.488 -1.433 0 CA-C-O 117.05 -1.452 . . . . 10.0 110.075 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.69 108.04 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 O-C-N 126.389 2.305 . . . . 10.0 110.858 175.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.26 -95.52 0.09 Allowed 'General case' 0 CA--C 1.512 -0.499 0 O-C-N 120.55 -1.344 . . . . 10.0 109.976 -176.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.29 -25.42 23.55 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.058 0.762 . . . . 10.0 113.058 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -89.94 -44.68 9.72 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 125.275 1.43 . . . . 10.0 111.188 174.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -29.98 67.89 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 119.027 0.831 . . . . 10.0 111.791 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.68 -37.77 59.26 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 117.872 -1.061 . . . . 10.0 111.161 174.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -43.31 71.04 Favored 'General case' 0 C--O 1.199 -1.589 0 CA-C-N 119.359 0.981 . . . . 10.0 109.899 176.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -61.43 -51.62 67.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 120.586 1.539 . . . . 10.0 111.72 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -62.3 -52.44 63.68 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 122.786 1.279 . . . . 10.0 110.314 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -64.21 -45.21 89.27 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.014 -0.993 . . . . 10.0 110.759 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -56.02 -47.57 77.55 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 124.544 1.138 . . . . 10.0 108.019 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.471 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 5.7 t-80 -52.71 -38.94 61.52 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 118.944 0.793 . . . . 10.0 112.06 177.009 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -54.28 -65.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 118.547 -0.74 . . . . 10.0 112.381 173.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -64.14 -10.56 23.57 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 122.62 1.2 . . . . 10.0 112.408 173.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 8.5 t -84.06 -60.19 2.18 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 119.247 -2.158 . . . . 10.0 110.069 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -24.89 8.84 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 125.691 1.596 . . . . 10.0 111.956 174.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -51.28 -33.72 29.77 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.636 1.175 . . . . 10.0 112.346 169.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -60.18 -11.1 5.38 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 121.422 -0.799 . . . . 10.0 113.016 174.406 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.28 7.69 88.09 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 126.499 1.999 . . . . 10.0 111.385 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -73.59 178.73 4.51 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 123.524 1.63 . . . . 10.0 111.754 175.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.37 154.35 31.35 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 114.663 -1.153 . . . . 10.0 111.707 175.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.471 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 42.3 p90 -55.86 -49.3 73.71 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-O 117.373 -1.299 . . . . 10.0 110.957 176.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -55.07 39.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.383 1.087 . . . . 10.0 110.769 -174.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -55.1 -46.69 75.55 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 121.59 -0.694 . . . . 10.0 110.6 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -33.7 76.05 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-O 117.985 -1.007 . . . . 10.0 112.197 175.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -59.8 4.85 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 125.928 1.691 . . . . 10.0 108.45 176.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.3 mtt -61.93 -10.7 10.21 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.564 0.949 . . . . 10.0 113.564 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.8 -63.17 1.18 Allowed 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 116.551 -1.69 . . . . 10.0 112.453 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 59.5 m -45.72 -28.96 1.14 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.457 2.303 . . . . 10.0 112.114 171.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -57.75 -61.65 2.37 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-O 122.624 1.202 . . . . 10.0 111.089 172.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -70.22 -27.23 64.31 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 117.669 -1.158 . . . . 10.0 111.247 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 5.6 t70 -53.45 -73.0 0.05 OUTLIER 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.489 1.116 . . . . 10.0 110.541 176.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.1 m -82.47 69.19 9.17 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 107.938 -1.134 . . . . 10.0 107.938 -177.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -174.46 143.99 0.86 Allowed 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 122.993 1.377 . . . . 10.0 109.223 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.634 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.5 t -77.84 -178.41 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 120.799 -1.188 . . . . 10.0 109.452 177.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.634 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -173.23 -155.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.086 0.955 . . . . 10.0 110.603 179.201 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.71 165.46 17.84 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.698 0.799 . . . . 10.0 111.09 173.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.7 t -136.93 79.9 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 106.488 -1.671 . . . . 10.0 106.488 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.25 133.88 11.71 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.235 176.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -65.32 167.36 8.56 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 122.074 0.94 . . . . 10.0 110.403 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.38 106.58 16.08 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.166 -1.05 . . . . 10.0 108.166 175.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.9 156.2 0.22 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 124.578 1.174 . . . . 10.0 111.38 177.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -133.1 166.91 21.33 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.544 -0.722 . . . . 10.0 109.845 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -164.03 166.95 20.97 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.745 -0.662 . . . . 10.0 109.638 175.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -111.87 173.32 6.41 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.024 0.916 . . . . 10.0 110.783 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.7 153.68 80.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.418 175.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -70.97 -175.04 1.3 Allowed 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 122.48 2.12 . . . . 10.0 111.181 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -108.49 172.61 6.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 118.076 -0.964 . . . . 10.0 109.918 174.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.243 0.762 0 O-C-N 126.03 2.081 . . . . 10.0 111.158 177.49 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.51 -0.571 0 N-CA-C 107.304 -1.369 . . . . 10.0 107.304 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -95.53 -6.82 39.63 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 123.683 0.614 . . . . 10.0 110.598 173.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.4 -49.19 78.75 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 119.393 0.997 . . . . 10.0 112.995 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -47.02 -32.15 3.76 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.665 0.987 . . . . 10.0 113.665 174.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -90.97 -40.9 11.42 Favored 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 125.34 1.456 . . . . 10.0 109.212 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -35.9 59.97 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.782 1.628 . . . . 10.0 109.374 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.9 -40.86 65.19 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 123.812 0.695 . . . . 10.0 109.978 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.0 -45.29 82.08 Favored 'General case' 0 C--O 1.2 -1.526 0 O-C-N 121.743 -0.598 . . . . 10.0 110.42 176.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -60.58 -53.25 59.76 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 125.002 1.321 . . . . 10.0 112.255 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.36 -54.27 47.67 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 122.759 1.266 . . . . 10.0 110.373 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.4 m -63.28 -45.36 91.8 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 124.339 1.055 . . . . 10.0 110.743 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.51 ' HG ' ' HG ' ' A' ' 30' ' ' CYS . 46.9 t -55.75 -49.02 74.22 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.168 -1.049 . . . . 10.0 108.168 173.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -51.69 -38.17 53.86 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 119.091 0.86 . . . . 10.0 112.201 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -55.97 -68.39 0.21 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 123.727 0.811 . . . . 10.0 112.127 173.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -61.24 -14.2 24.16 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.499 1.142 . . . . 10.0 112.531 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.7 t -81.28 -66.1 0.93 Allowed 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 120.36 -1.462 . . . . 10.0 110.046 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -25.7 7.84 Favored 'General case' 0 C--O 1.224 -0.253 0 O-C-N 120.547 -1.346 . . . . 10.0 111.958 175.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -51.0 -37.52 45.59 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.999 1.32 . . . . 10.0 110.595 171.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.25 -11.9 4.68 Favored 'General case' 0 C--N 1.343 0.302 0 O-C-N 120.666 -1.271 . . . . 10.0 112.285 176.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.12 16.8 71.08 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 126.842 2.163 . . . . 10.0 111.182 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -79.4 176.91 9.26 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 122.675 1.226 . . . . 10.0 111.476 178.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.19 143.81 27.75 Favored Glycine 0 C--N 1.333 0.402 0 N-CA-C 111.013 -0.835 . . . . 10.0 111.013 174.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.427 ' CG ' ' N ' ' A' ' 24' ' ' THR . 11.5 p90 -48.41 -46.73 37.73 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 124.505 1.122 . . . . 10.0 112.071 175.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -58.1 -62.08 2.08 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 124.918 1.287 . . . . 10.0 111.773 -178.297 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.442 ' N ' HG22 ' A' ' 24' ' ' THR . 32.7 t80 -53.18 -44.51 67.96 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.549 176.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.2 -37.24 79.65 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 118.431 -0.795 . . . . 10.0 111.137 176.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.69 -66.94 0.48 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 126.194 1.798 . . . . 10.0 111.436 176.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.4 ttp -49.61 -27.35 4.45 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.937 0.895 . . . . 10.0 111.707 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.41 -63.19 1.45 Allowed 'General case' 0 C--O 1.21 -0.981 0 CA-C-O 116.384 -1.77 . . . . 10.0 111.394 174.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.51 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 44.6 m -44.1 -28.54 0.5 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.508 1.923 . . . . 10.0 111.915 176.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.1 -62.3 1.87 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 122.812 1.291 . . . . 10.0 110.065 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.38 -17.71 60.78 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.44 177.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -56.44 -68.73 0.19 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.09 1.356 . . . . 10.0 110.896 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.5 t -75.2 62.99 1.28 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 122.061 0.934 . . . . 10.0 110.554 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.4 153.42 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 126.748 2.019 . . . . 10.0 110.658 -176.291 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.6 t -80.75 -177.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 119.572 -1.955 . . . . 10.0 109.295 174.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.641 ' H ' HG12 ' A' ' 36' ' ' VAL . 1.5 pttp -171.26 -166.63 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 124.385 1.074 . . . . 10.0 109.79 178.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -108.75 117.35 33.96 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 123.992 0.917 . . . . 10.0 109.275 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 39' ' ' VAL . 9.1 p -120.07 56.85 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 C-N-CA 123.266 0.626 . . . . 10.0 109.536 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -44.67 96.3 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 122.74 0.416 . . . . 10.0 111.014 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.24 34.66 2.48 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 123.748 1.737 . . . . 10.0 108.496 -174.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -106.87 36.65 2.58 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 114.683 -1.144 . . . . 10.0 110.128 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.34 153.37 0.51 Allowed 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 124.122 0.889 . . . . 10.0 110.192 177.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -162.83 126.48 2.91 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -67.03 169.67 7.99 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 122.382 1.087 . . . . 10.0 110.815 175.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -131.1 143.55 50.74 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.253 -0.885 . . . . 10.0 108.886 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.2 -58.87 0.0 OUTLIER Pre-proline 0 N--CA 1.463 0.214 0 C-N-CA 125.666 1.586 . . . . 10.0 111.652 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -74.23 58.27 4.28 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.771 2.981 . . . . 10.0 110.762 176.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -69.15 0.15 Allowed 'General case' 0 C--N 1.343 0.305 0 C-N-CA 123.845 0.858 . . . . 10.0 111.671 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 . . . . . 0 C--O 1.245 0.85 0 CA-C-O 116.79 -1.576 . . . . 10.0 110.461 172.248 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.6 p30 . . . . . 0 N--CA 1.487 1.423 0 N-CA-C 110.044 -0.354 . . . . 10.0 110.044 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -19.3 59.97 Favored 'General case' 0 C--O 1.208 -1.131 0 O-C-N 121.82 -0.55 . . . . 10.0 110.546 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.63 -49.93 61.27 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 117.542 -1.218 . . . . 10.0 113.579 173.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -47.71 -32.66 6.03 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 114.004 1.112 . . . . 10.0 114.004 173.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -87.39 -43.31 12.2 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 125.446 1.498 . . . . 10.0 113.073 171.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -56.88 -30.1 63.58 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 120.762 1.619 . . . . 10.0 111.542 176.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -78.77 -38.42 38.65 Favored 'General case' 0 C--O 1.21 -0.979 0 C-N-CA 123.791 0.836 . . . . 10.0 110.316 174.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.25 -41.36 77.04 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-O 117.242 -1.361 . . . . 10.0 110.646 175.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.402 ' CE1' ' HG2' ' A' ' 27' ' ' GLU . 26.8 t80 -63.45 -52.01 63.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 121.29 1.859 . . . . 10.0 111.399 177.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.48 -51.38 68.92 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 122.081 0.943 . . . . 10.0 110.161 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.7 m -65.77 -44.6 85.37 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.739 0.816 . . . . 10.0 111.511 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.633 ' HG ' ' HG ' ' A' ' 30' ' ' CYS . 42.0 t -57.35 -46.87 82.88 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.405 -0.961 . . . . 10.0 108.405 174.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.457 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.6 t-80 -54.23 -37.45 64.63 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 117.548 -1.215 . . . . 10.0 111.823 176.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -56.15 -70.06 0.13 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 117.529 -1.224 . . . . 10.0 112.273 172.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.87 -17.63 25.75 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 123.738 1.732 . . . . 10.0 113.13 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.2 t -77.49 -67.06 0.76 Allowed 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 119.225 -2.172 . . . . 10.0 110.905 176.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -22.8 32.7 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-O 117.094 -1.432 . . . . 10.0 111.503 177.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -50.91 -41.26 58.42 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.952 1.301 . . . . 10.0 111.882 167.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -12.84 1.32 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 114.494 1.294 . . . . 10.0 114.494 174.258 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.03 20.43 67.69 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 127.024 2.25 . . . . 10.0 109.24 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -75.13 177.76 6.2 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 123.383 1.563 . . . . 10.0 112.239 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.04 131.65 12.63 Favored Glycine 0 C--O 1.224 -0.521 0 O-C-N 120.946 -1.096 . . . . 10.0 110.617 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.75 -56.95 2.04 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 126.103 1.761 . . . . 10.0 112.806 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -51.3 -58.04 7.26 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 125.913 1.685 . . . . 10.0 111.394 177.657 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.42 ' N ' HG22 ' A' ' 24' ' ' THR . 50.5 t80 -54.09 -45.2 71.75 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 123.12 0.568 . . . . 10.0 110.908 177.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -58.43 -38.48 77.55 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 118.125 -0.941 . . . . 10.0 112.842 174.39 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.402 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -66.45 -66.77 0.51 Allowed 'General case' 0 C--O 1.213 -0.856 0 CA-C-O 116.469 -1.729 . . . . 10.0 111.702 174.581 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -29.08 4.03 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.277 1.399 . . . . 10.0 113.055 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.18 -63.1 1.5 Allowed 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 113.69 -3.052 . . . . 10.0 113.051 172.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.633 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 66.3 m -46.9 -27.54 1.29 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.129 1.771 . . . . 10.0 113.174 173.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -61.06 -62.41 1.87 Allowed 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.465 1.506 . . . . 10.0 111.306 172.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.414 ' HA ' ' HB2' ' A' ' 35' ' ' SER . 1.4 m -72.29 -24.05 61.28 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.013 -0.994 . . . . 10.0 112.161 177.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.436 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 20.2 t70 -55.65 -72.52 0.07 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.385 1.474 . . . . 10.0 109.578 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.517 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.5 t -85.31 46.43 1.29 Allowed 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.135 176.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.414 ' HB2' ' HA ' ' A' ' 32' ' ' THR . 24.5 t -73.84 72.3 1.55 Allowed 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 123.35 1.548 . . . . 10.0 110.3 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.659 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.5 t -76.45 -175.7 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-O 122.812 1.292 . . . . 10.0 108.207 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.659 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -162.28 100.26 1.07 Allowed 'General case' 0 C--N 1.32 -0.675 0 O-C-N 120.861 -1.149 . . . . 10.0 110.118 179.57 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -157.9 121.64 4.07 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 107.606 -1.257 . . . . 10.0 107.606 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 39' ' ' VAL . 2.6 p -127.19 37.43 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-O 121.588 0.709 . . . . 10.0 110.842 178.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -43.35 125.11 3.69 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.921 0.867 . . . . 10.0 110.711 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 121.02 14.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 106.418 -1.697 . . . . 10.0 106.418 -175.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 60.24 0.2 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.886 0.874 . . . . 10.0 112.245 174.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.42 138.5 1.18 Allowed 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.58 1.552 . . . . 10.0 107.802 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -170.73 63.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 O-C-N 124.442 1.089 . . . . 10.0 110.475 174.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.3 143.35 0.51 Allowed 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 120.237 -1.539 . . . . 10.0 109.564 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -173.68 107.35 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -163.46 81.74 1.49 Allowed Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -70.78 162.46 42.5 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.941 1.761 . . . . 10.0 109.672 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.37 134.14 15.3 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.81 0.844 . . . . 10.0 110.66 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 . . . . . 0 C--O 1.252 1.232 0 CA-C-O 114.546 -2.645 . . . . 10.0 110.501 -174.394 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 119.936 -0.078 . . . . 10.0 110.87 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 66.07 -76.29 0.05 OUTLIER 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 123.601 0.76 . . . . 10.0 112.294 -177.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.12 -47.34 34.63 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 125.155 1.382 . . . . 10.0 112.345 176.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -47.35 -33.0 5.35 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.819 1.044 . . . . 10.0 113.819 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -88.42 -42.55 12.09 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 126.3 1.84 . . . . 10.0 110.497 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -29.91 61.23 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.924 1.693 . . . . 10.0 111.654 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.12 -36.14 48.27 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 123.7 0.8 . . . . 10.0 111.063 174.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -70.33 -43.29 70.57 Favored 'General case' 0 C--O 1.196 -1.716 0 CA-C-N 119.298 0.954 . . . . 10.0 110.014 175.464 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -62.18 -51.9 65.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 120.943 1.701 . . . . 10.0 111.577 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.12 -52.6 64.21 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 122.071 0.939 . . . . 10.0 110.052 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.4 m -64.93 -45.6 85.15 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.536 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 8' ' ' CYS . 10.5 t -56.91 -45.27 82.77 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 124.414 1.086 . . . . 10.0 108.105 175.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.414 ' HA ' ' SG ' ' A' ' 30' ' ' CYS . 3.2 t-80 -53.68 -39.74 65.39 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 123.859 0.863 . . . . 10.0 111.852 174.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -64.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 119.152 0.887 . . . . 10.0 112.538 174.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -63.9 -11.83 31.43 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 122.554 1.169 . . . . 10.0 112.264 173.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.4 t -82.78 -62.21 1.66 Allowed 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 119.347 -2.095 . . . . 10.0 110.183 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.19 -25.04 8.16 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 125.152 1.381 . . . . 10.0 111.52 175.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -50.73 -36.36 36.04 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.022 0.929 . . . . 10.0 112.61 169.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -12.59 4.61 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.02 -1.05 . . . . 10.0 113.339 174.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.65 15.46 77.84 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 126.643 2.068 . . . . 10.0 110.437 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -78.12 177.97 7.92 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.625 1.202 . . . . 10.0 111.712 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.52 146.59 27.47 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.456 -0.793 . . . . 10.0 111.521 174.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.426 ' CG ' ' N ' ' A' ' 24' ' ' THR . 11.5 p90 -49.53 -47.9 48.6 Favored 'General case' 0 C--O 1.207 -1.145 0 CA-C-O 117.666 -1.159 . . . . 10.0 110.687 176.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -59.13 -59.61 5.18 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.141 0.977 . . . . 10.0 110.843 -176.185 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.427 ' N ' HG22 ' A' ' 24' ' ' THR . 47.9 t80 -54.62 -48.78 71.81 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.915 -0.491 . . . . 10.0 110.203 178.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.38 -34.17 72.09 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-O 117.964 -1.017 . . . . 10.0 111.489 175.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -66.33 0.56 Allowed 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 126.815 2.046 . . . . 10.0 109.55 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mtp -53.8 -29.95 42.78 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.031 0.443 . . . . 10.0 111.965 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -62.95 1.42 Allowed 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 116.684 -1.627 . . . . 10.0 111.352 177.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 64.0 m -45.34 -28.47 0.85 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.226 1.81 . . . . 10.0 111.325 173.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -59.65 -61.58 2.52 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.514 1.126 . . . . 10.0 111.339 173.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -72.42 -22.73 61.06 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.688 177.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -53.98 -73.11 0.05 Allowed 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.758 1.223 . . . . 10.0 109.473 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.9 t -81.99 51.26 1.71 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.615 0.721 . . . . 10.0 109.533 -176.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.82 51.92 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 126.523 1.929 . . . . 10.0 109.691 -175.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.624 HG22 ' H ' ' A' ' 37' ' ' LYS . 1.3 p -58.24 -171.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 123.625 1.679 . . . . 10.0 110.142 175.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.624 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -173.43 -35.6 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 O-C-N 120.383 -1.448 . . . . 10.0 111.125 174.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -161.15 154.6 21.73 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.761 1.288 . . . . 10.0 109.583 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.0 t -148.46 78.16 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 107.155 -1.424 . . . . 10.0 107.155 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.62 135.02 11.91 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.39 144.21 37.13 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 121.414 0.626 . . . . 10.0 110.319 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 78.01 1.15 Allowed 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.7 150.97 2.56 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 123.824 0.849 . . . . 10.0 108.757 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -135.08 158.13 45.15 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.859 0.838 . . . . 10.0 109.835 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -148.05 127.44 13.1 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -166.05 175.36 8.56 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.219 0.533 . . . . 10.0 110.176 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.2 81.33 10.37 Favored Pre-proline 0 CA--C 1.531 0.246 0 C-N-CA 123.868 0.867 . . . . 10.0 110.358 174.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -69.94 159.22 54.07 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 121.822 1.681 . . . . 10.0 110.225 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -52.14 152.1 3.44 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.284 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 C--O 1.254 1.319 0 CA-C-O 116.702 -1.618 . . . . 10.0 111.802 174.802 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.76 -55.15 1.72 Allowed 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 125.029 1.332 . . . . 10.0 109.762 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.15 -40.82 71.05 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 113.961 1.097 . . . . 10.0 113.961 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -48.84 -34.42 12.47 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.524 1.13 . . . . 10.0 113.532 172.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -88.23 -45.99 9.61 Favored 'General case' 0 C--O 1.213 -0.843 0 C-N-CA 127.673 2.389 . . . . 10.0 109.422 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -55.39 -32.38 62.59 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.6 1.545 . . . . 10.0 110.826 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -75.95 -37.43 58.66 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 118.037 -0.982 . . . . 10.0 111.117 175.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.28 -43.46 73.82 Favored 'General case' 0 C--O 1.199 -1.581 0 CA-C-O 117.667 -1.159 . . . . 10.0 109.911 175.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -61.83 -52.87 62.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 120.977 1.717 . . . . 10.0 111.881 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -61.16 -51.58 68.46 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 122.778 1.275 . . . . 10.0 110.593 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.4 m -65.71 -44.57 85.69 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.399 -0.819 . . . . 10.0 111.135 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -57.4 -46.44 83.46 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 108.025 -1.102 . . . . 10.0 108.025 173.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -54.12 -36.13 62.91 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 119.802 1.183 . . . . 10.0 112.436 176.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -68.95 0.22 Allowed 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 117.888 -1.053 . . . . 10.0 112.333 173.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -19.92 28.3 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 122.592 1.187 . . . . 10.0 113.287 174.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.8 t -77.29 -65.33 0.97 Allowed 'General case' 0 N--CA 1.441 -0.922 0 O-C-N 119.945 -1.722 . . . . 10.0 111.047 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -21.3 48.28 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.814 1.246 . . . . 10.0 111.677 176.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -53.51 -36.6 61.91 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.692 1.597 . . . . 10.0 111.841 168.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -11.87 3.31 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 114.091 1.145 . . . . 10.0 114.091 173.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.94 18.21 70.47 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 127.102 2.287 . . . . 10.0 111.122 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -77.1 176.87 8.29 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 123.088 1.423 . . . . 10.0 112.093 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.25 148.96 38.3 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-N 115.381 -0.827 . . . . 10.0 112.241 173.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -56.16 -56.05 25.66 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-O 117.315 -1.326 . . . . 10.0 111.821 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -57.64 8.35 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 126.167 1.787 . . . . 10.0 111.519 178.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -53.82 -47.8 70.53 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 119.169 -0.443 . . . . 10.0 110.759 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.0 -38.13 78.47 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 118.341 -0.838 . . . . 10.0 112.618 175.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -67.87 0.41 Allowed 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 126.914 2.085 . . . . 10.0 111.165 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -29.15 3.76 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.249 1.42 . . . . 10.0 112.65 178.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.8 -62.11 1.79 Allowed 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 115.267 -2.301 . . . . 10.0 113.02 172.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 58.8 m -47.65 -27.8 2.08 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.681 1.992 . . . . 10.0 113.153 173.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -61.9 -63.3 1.3 Allowed 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 126.124 1.769 . . . . 10.0 110.295 173.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.75 -23.2 61.57 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 118.438 -0.791 . . . . 10.0 112.391 177.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 12.1 t70 -55.64 -70.31 0.11 Allowed 'General case' 0 C--O 1.236 0.358 0 C-N-CA 126.501 1.92 . . . . 10.0 109.74 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.4 m -81.35 47.96 1.1 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.569 0.699 . . . . 10.0 110.378 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.14 91.23 1.25 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.956 1.302 . . . . 10.0 107.885 -179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.614 HG22 ' H ' ' A' ' 37' ' ' LYS . 1.4 p -59.69 -171.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 123.78 1.752 . . . . 10.0 111.307 174.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.614 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -160.05 93.77 1.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 120.536 -1.353 . . . . 10.0 110.328 175.695 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -150.49 122.83 8.4 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -134.37 77.46 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 106.321 -1.733 . . . . 10.0 106.321 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.93 125.82 5.37 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.24 0.616 . . . . 10.0 109.987 176.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -57.44 148.32 23.77 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -69.54 83.32 0.42 Allowed 'General case' 0 C--O 1.226 -0.158 0 N-CA-C 108.039 -1.097 . . . . 10.0 108.039 175.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.06 140.67 8.92 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 124.737 1.273 . . . . 10.0 109.149 178.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.35 -54.12 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.611 0 O-C-N 123.945 0.778 . . . . 10.0 111.008 -176.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.3 p-10 -39.9 131.09 1.96 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 122.83 1.3 . . . . 10.0 113.138 174.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -170.94 161.91 7.16 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 121.25 -0.907 . . . . 10.0 108.84 -174.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.72 154.35 49.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.446 -0.797 . . . . 10.0 111.124 174.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -71.71 -178.6 3.16 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 122.59 2.193 . . . . 10.0 111.471 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HE3' ' OD1' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -135.45 -63.18 0.68 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 117.724 -1.131 . . . . 10.0 110.7 177.194 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.429 ' OD1' ' HE3' ' A' ' 49' ' ' LYS . 42.4 p-10 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 114.85 -2.5 . . . . 10.0 113.477 -177.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 CA--C 1.499 -0.99 0 N-CA-C 108.195 -1.039 . . . . 10.0 108.195 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.14 -10.74 46.11 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 124.483 1.114 . . . . 10.0 111.767 171.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.1 82.83 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 120.282 1.401 . . . . 10.0 112.377 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -48.14 -31.83 6.16 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.402 0.89 . . . . 10.0 113.402 173.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -88.08 -43.16 11.89 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 124.877 1.271 . . . . 10.0 113.689 172.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -30.11 65.19 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 125.045 1.338 . . . . 10.0 111.949 175.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -77.55 -36.42 52.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 117.7 -1.143 . . . . 10.0 111.566 172.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -42.4 72.56 Favored 'General case' 0 C--O 1.194 -1.825 0 CA-C-O 117.049 -1.453 . . . . 10.0 110.473 174.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -62.64 -51.68 66.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 121.769 2.077 . . . . 10.0 111.792 177.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.46 -51.86 66.92 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.391 1.091 . . . . 10.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.2 m -66.8 -43.98 82.45 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.13 0.972 . . . . 10.0 110.992 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.549 ' HG ' ' HG ' ' A' ' 30' ' ' CYS . 45.6 t -57.25 -45.53 83.9 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 123.591 0.756 . . . . 10.0 109.106 173.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -54.38 -38.68 66.41 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 117.468 -1.253 . . . . 10.0 112.616 174.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -54.35 -65.88 0.5 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.058 -0.972 . . . . 10.0 112.492 172.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.49 -12.22 30.12 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 123.47 1.605 . . . . 10.0 113.219 174.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 t -81.99 -63.61 1.35 Allowed 'General case' 0 N--CA 1.443 -0.788 0 O-C-N 118.962 -2.336 . . . . 10.0 111.365 176.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -23.98 9.22 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 116.743 -1.599 . . . . 10.0 112.016 174.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -50.94 -36.4 38.49 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.053 1.341 . . . . 10.0 112.942 167.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -11.86 3.91 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 114.071 1.137 . . . . 10.0 114.071 173.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.24 16.05 77.21 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 126.724 2.107 . . . . 10.0 110.74 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -77.04 176.9 8.24 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 122.999 1.381 . . . . 10.0 112.346 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.87 144.26 28.63 Favored Glycine 0 C--N 1.329 0.164 0 CA-C-N 115.274 -0.876 . . . . 10.0 111.597 173.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -47.25 -48.61 24.45 Favored 'General case' 0 C--O 1.211 -0.952 0 C-N-CA 125.205 1.402 . . . . 10.0 110.573 175.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -57.32 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 124.227 1.011 . . . . 10.0 110.935 -175.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -57.7 -43.68 85.36 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.638 0.732 . . . . 10.0 111.262 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -36.05 79.91 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 117.447 -1.263 . . . . 10.0 112.761 173.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -65.85 0.63 Allowed 'General case' 0 CA--C 1.506 -0.739 0 C-N-CA 127.499 2.32 . . . . 10.0 109.437 177.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.2 ptm -51.72 -37.33 50.52 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.703 0.764 . . . . 10.0 112.174 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -71.63 -59.32 2.82 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 115.911 -1.995 . . . . 10.0 110.809 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.549 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 31.2 m -46.1 -29.36 1.49 Allowed 'General case' 0 CA--C 1.536 0.421 0 O-C-N 125.245 1.591 . . . . 10.0 113.464 170.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -60.82 -61.62 2.45 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 125.342 1.457 . . . . 10.0 111.185 172.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -71.12 -26.62 63.1 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-O 117.633 -1.175 . . . . 10.0 111.869 177.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -52.98 -76.69 0.02 OUTLIER 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.093 1.357 . . . . 10.0 109.5 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -84.52 94.65 8.61 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 106.429 -1.693 . . . . 10.0 106.429 -178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -110.15 93.96 4.77 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 106.319 -1.734 . . . . 10.0 106.319 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.647 HG22 ' H ' ' A' ' 37' ' ' LYS . 1.4 p -57.72 -169.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 124.455 2.074 . . . . 10.0 111.331 174.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.647 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -152.19 -38.79 0.11 Allowed 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 120.527 -1.358 . . . . 10.0 112.889 172.333 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -52.33 129.63 28.83 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 125.671 1.857 . . . . 10.0 110.163 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.8 t -136.61 78.82 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.586 0 N-CA-C 105.596 -2.002 . . . . 10.0 105.596 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -48.81 -73.03 0.04 OUTLIER 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 123.335 0.654 . . . . 10.0 111.111 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.32 177.35 9.04 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 172.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -104.74 71.54 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.522 -1.288 . . . . 10.0 107.522 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.489 HD12 ' H ' ' A' ' 43' ' ' LEU . 5.3 mp -49.08 154.49 0.77 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.804 0.69 . . . . 10.0 110.395 174.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -167.4 177.56 5.96 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.129 -1.063 . . . . 10.0 108.129 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 65.42 94.44 0.06 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.65 1.18 . . . . 10.0 111.595 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -168.37 85.34 0.18 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 120.949 -1.094 . . . . 10.0 109.873 -173.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -174.77 81.54 0.33 Allowed Pre-proline 0 N--CA 1.47 0.572 0 O-C-N 121.614 -0.679 . . . . 10.0 109.852 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -69.67 130.97 20.39 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 N-CA-C 107.522 -1.761 . . . . 10.0 107.522 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.59 149.88 1.55 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.058 0.943 . . . . 10.0 110.871 176.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.258 1.505 0 CA-C-O 116.926 -1.511 . . . . 10.0 112.493 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.509 -0.631 0 CA-C-O 118.352 -0.832 . . . . 10.0 108.9 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.24 -41.51 97.02 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 118.262 0.483 . . . . 10.0 111.407 173.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.3 -43.69 98.45 Favored 'General case' 0 C--O 1.222 -0.381 0 O-C-N 121.395 -0.815 . . . . 10.0 112.011 -177.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.87 -32.82 6.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.507 1.123 . . . . 10.0 112.269 172.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.407 ' CE2' ' O ' ' A' ' 34' ' ' CYS . 27.3 t80 -87.36 -45.07 10.89 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.291 1.036 . . . . 10.0 111.615 175.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -56.46 -33.81 66.27 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 118.941 0.791 . . . . 10.0 110.43 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -69.5 -44.19 71.59 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.767 0.827 . . . . 10.0 110.723 173.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -45.08 90.08 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 118.025 0.375 . . . . 10.0 110.223 178.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -60.82 -54.42 45.39 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 124.806 1.242 . . . . 10.0 112.137 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -60.25 -52.9 63.33 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 122.967 1.365 . . . . 10.0 110.866 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.5 m -64.79 -43.42 93.26 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.586 1.154 . . . . 10.0 112.001 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.0 t -58.67 -45.44 89.41 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 119.114 0.87 . . . . 10.0 108.687 172.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -54.71 -34.45 62.42 Favored 'General case' 0 C--O 1.222 -0.384 0 O-C-N 120.824 -1.173 . . . . 10.0 112.791 177.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -68.6 0.23 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.954 0.902 . . . . 10.0 111.729 172.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -62.02 -14.72 38.46 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 122.268 1.033 . . . . 10.0 112.654 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.0 t -81.33 -62.23 1.72 Allowed 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 120.214 -1.554 . . . . 10.0 111.017 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -25.47 37.81 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.37 -1.456 . . . . 10.0 112.433 175.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -51.8 -38.25 54.95 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.072 1.349 . . . . 10.0 111.259 169.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -10.1 4.76 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 118.266 -0.873 . . . . 10.0 112.956 176.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.63 18.59 77.3 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 127.066 2.269 . . . . 10.0 112.223 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -76.16 173.86 10.81 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 122.437 1.113 . . . . 10.0 111.341 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.54 130.77 23.62 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.107 -1.197 . . . . 10.0 110.107 173.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -39.56 -59.02 1.18 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.703 1.601 . . . . 10.0 112.884 174.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.93 -58.03 6.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.484 1.914 . . . . 10.0 111.67 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -52.98 -47.87 67.87 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.871 -0.518 . . . . 10.0 110.188 176.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -37.33 76.8 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-O 118.311 -0.852 . . . . 10.0 111.772 176.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -68.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 126.249 1.82 . . . . 10.0 110.194 175.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -33.53 17.24 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.826 0.85 . . . . 10.0 112.684 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.79 -56.64 4.56 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-O 118.51 -0.757 . . . . 10.0 111.769 176.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.7 m -49.04 -28.37 3.99 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.49 1.516 . . . . 10.0 113.248 172.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -61.93 -61.54 2.42 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.084 1.753 . . . . 10.0 110.179 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -71.54 -26.47 62.66 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.123 -0.944 . . . . 10.0 111.438 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -55.14 -72.5 0.07 Allowed 'General case' 0 C--O 1.235 0.332 0 C-N-CA 125.514 1.525 . . . . 10.0 111.1 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.407 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 3.2 t -86.36 91.15 8.41 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 107.522 -1.288 . . . . 10.0 107.522 177.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.2 123.3 13.65 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 122.466 1.127 . . . . 10.0 109.321 176.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.6 HG22 ' H ' ' A' ' 37' ' ' LYS . 1.4 p -60.15 -170.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 123.091 1.424 . . . . 10.0 110.452 174.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.6 ' H ' HG22 ' A' ' 36' ' ' VAL . 1.5 ttmt -145.93 159.58 43.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.145 -0.934 . . . . 10.0 111.586 175.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.42 120.2 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.825 1.25 . . . . 10.0 108.944 176.077 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.2 t -133.44 80.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 105.61 -1.996 . . . . 10.0 105.61 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.66 131.3 21.55 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.8 174.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -117.85 38.03 3.77 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 124.139 1.923 . . . . 10.0 111.153 -176.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -133.3 62.28 1.66 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.72 -1.127 . . . . 10.0 108.961 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.67 152.95 0.88 Allowed 'General case' 0 CA--C 1.533 0.303 0 O-C-N 124.942 1.402 . . . . 10.0 109.997 176.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -71.96 162.24 29.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.159 0.98 . . . . 10.0 111.221 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -136.22 158.64 43.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.919 0.866 . . . . 10.0 109.217 176.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -142.22 173.09 11.84 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.844 -1.071 . . . . 10.0 109.707 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.05 152.32 46.5 Favored Pre-proline 0 C--N 1.327 -0.384 0 C-N-CA 124.298 1.039 . . . . 10.0 111.073 177.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -68.35 168.5 19.33 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 122.04 1.827 . . . . 10.0 110.598 176.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.97 167.07 10.04 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.589 1.556 . . . . 10.0 109.054 174.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.29 1.436 . . . . 10.0 113.023 172.018 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 106.925 -1.509 . . . . 10.0 106.925 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.44 -80.36 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 118.919 0.781 . . . . 10.0 112.284 177.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.52 77.65 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 124.903 1.281 . . . . 10.0 112.779 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -33.17 12.91 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.922 0.868 . . . . 10.0 112.52 175.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.4 ' CE1' ' O ' ' A' ' 35' ' ' SER . 45.2 t80 -87.4 -39.89 14.88 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 124.86 1.264 . . . . 10.0 111.063 176.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -33.06 62.37 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.006 1.323 . . . . 10.0 110.954 177.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -71.25 -43.11 67.9 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 118.573 -0.727 . . . . 10.0 111.03 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.46 -44.28 87.72 Favored 'General case' 0 C--O 1.198 -1.608 0 CA-C-O 118.475 -0.774 . . . . 10.0 109.956 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -61.5 -52.8 62.99 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 125.506 1.522 . . . . 10.0 111.781 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.49 -50.79 71.3 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 122.577 1.18 . . . . 10.0 111.157 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.2 m -66.69 -43.89 83.21 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.998 1.319 . . . . 10.0 111.452 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 t -58.05 -47.65 82.48 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 107.798 -1.186 . . . . 10.0 107.798 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -53.37 -36.18 61.11 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 119.901 1.228 . . . . 10.0 112.519 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -69.61 0.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.21 -0.9 . . . . 10.0 112.254 172.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -58.71 -18.29 30.07 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 122.286 1.041 . . . . 10.0 112.382 174.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.7 t -79.14 -63.02 1.51 Allowed 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 119.419 -2.05 . . . . 10.0 110.545 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -23.87 33.06 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 120.352 -1.467 . . . . 10.0 112.115 175.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.4 -36.79 45.15 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.139 1.376 . . . . 10.0 111.482 169.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -10.88 4.96 Favored 'General case' 0 C--N 1.344 0.353 0 N-CA-C 112.989 0.737 . . . . 10.0 112.989 175.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.85 16.87 76.27 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 126.282 1.896 . . . . 10.0 111.519 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -78.27 175.64 10.02 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.709 1.242 . . . . 10.0 111.716 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.97 148.56 38.16 Favored Glycine 0 CA--C 1.521 0.464 0 CA-C-N 115.233 -0.894 . . . . 10.0 112.003 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -55.37 -57.24 12.67 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 124.917 1.287 . . . . 10.0 112.087 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.03 -57.15 8.21 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 125.774 1.63 . . . . 10.0 111.567 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -53.99 -49.24 69.27 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 122.741 0.416 . . . . 10.0 110.381 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -35.28 73.33 Favored 'General case' 0 C--O 1.204 -1.298 0 CA-C-O 118.552 -0.737 . . . . 10.0 112.045 176.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.85 -66.16 0.6 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 126.405 1.882 . . . . 10.0 111.318 177.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.34 -27.97 4.47 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.996 1.318 . . . . 10.0 112.188 176.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.65 -59.57 2.47 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 116.659 -1.639 . . . . 10.0 112.25 174.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 46.0 m -46.18 -28.66 1.3 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 126.48 1.912 . . . . 10.0 112.744 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -61.16 -64.57 0.91 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.003 1.321 . . . . 10.0 109.486 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -19.55 62.55 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 120.772 -1.205 . . . . 10.0 112.928 177.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -55.97 -72.81 0.07 Allowed 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 126.687 1.995 . . . . 10.0 109.112 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 t -67.12 -45.82 76.01 Favored 'General case' 0 N--CA 1.441 -0.902 0 O-C-N 124.418 1.074 . . . . 10.0 108.858 -177.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.4 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 3.5 t 159.48 104.71 0.0 OUTLIER 'General case' 0 C--N 1.345 0.383 0 C-N-CA 126.394 1.877 . . . . 10.0 112.76 -178.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.605 HG22 ' H ' ' A' ' 37' ' ' LYS . 2.0 p -57.82 -171.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 123.822 1.772 . . . . 10.0 110.528 178.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.605 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -156.05 120.98 4.7 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 120.263 -1.523 . . . . 10.0 109.935 175.054 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -138.39 126.26 22.46 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.801 -0.815 . . . . 10.0 108.801 179.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.7 t -150.12 81.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 106.56 -1.644 . . . . 10.0 106.56 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -49.62 -82.2 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.765 0.826 . . . . 10.0 112.128 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -159.14 155.33 27.03 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.43 -0.581 . . . . 10.0 109.43 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.73 62.57 3.79 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.827 -0.805 . . . . 10.0 108.827 176.165 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -46.39 138.54 5.56 Favored 'General case' 0 CA--C 1.528 0.122 0 O-C-N 124.338 1.024 . . . . 10.0 109.805 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.58 155.6 1.79 Allowed 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.657 -1.238 . . . . 10.0 107.657 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 58.91 147.5 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 122.883 1.325 . . . . 10.0 112.704 -175.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -171.27 100.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 120.697 -1.252 . . . . 10.0 109.67 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -164.67 71.04 1.52 Allowed Pre-proline 0 C--O 1.235 0.342 0 O-C-N 120.788 -1.195 . . . . 10.0 110.179 176.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -65.46 134.08 37.17 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 121.824 1.683 . . . . 10.0 108.663 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -53.3 156.03 2.52 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 118.594 -0.717 . . . . 10.0 109.849 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.2 t30 . . . . . 0 C--O 1.254 1.308 0 CA-C-O 115.108 -2.377 . . . . 10.0 109.768 174.781 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 108.292 -1.003 . . . . 10.0 108.292 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.83 117.43 15.92 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 124.973 1.309 . . . . 10.0 108.751 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 174.85 -93.79 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.922 0.889 . . . . 10.0 110.099 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -26.54 22.22 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 122.256 1.027 . . . . 10.0 112.137 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -86.28 -45.92 10.81 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 124.568 1.147 . . . . 10.0 112.491 174.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -30.63 65.36 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 118.365 0.529 . . . . 10.0 111.379 176.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -77.81 -34.71 51.98 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 118.115 -0.945 . . . . 10.0 111.794 174.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -72.0 -42.41 66.45 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-O 118.198 -0.906 . . . . 10.0 110.305 175.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -62.5 -52.02 65.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 120.091 1.314 . . . . 10.0 111.634 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -61.93 -50.84 70.56 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.061 0.934 . . . . 10.0 110.568 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.3 m -65.43 -46.0 81.65 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.41 -0.814 . . . . 10.0 110.837 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.32 -46.66 79.77 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 108.244 -1.021 . . . . 10.0 108.244 174.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -53.17 -38.29 62.66 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 119.186 0.903 . . . . 10.0 112.015 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -56.92 -69.27 0.16 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 117.927 -1.035 . . . . 10.0 112.114 174.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.27 -17.14 26.07 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 122.913 1.339 . . . . 10.0 112.777 174.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.8 t -78.13 -67.8 0.7 Allowed 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 119.642 -1.911 . . . . 10.0 110.601 176.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -23.55 18.82 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.048 -1.033 . . . . 10.0 111.205 176.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -52.33 -36.03 52.31 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.073 1.349 . . . . 10.0 111.737 170.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -12.06 5.92 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 113.376 0.88 . . . . 10.0 113.376 174.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.78 18.57 67.63 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.903 1.715 . . . . 10.0 110.661 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -77.75 177.65 7.98 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 122.891 1.329 . . . . 10.0 111.958 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.2 149.78 36.22 Favored Glycine 0 C--N 1.331 0.292 0 CA-C-N 115.309 -0.859 . . . . 10.0 112.065 173.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -54.27 -57.7 10.2 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 124.619 1.168 . . . . 10.0 111.038 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.99 -57.94 7.31 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 124.991 1.316 . . . . 10.0 111.244 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -53.68 -47.6 70.27 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 119.454 -0.308 . . . . 10.0 110.565 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.72 -36.54 74.44 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 118.469 -0.777 . . . . 10.0 112.431 175.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -68.75 0.35 Allowed 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 125.909 1.684 . . . . 10.0 110.826 176.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.2 mtt -47.99 -29.64 3.62 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.487 1.04 . . . . 10.0 112.469 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -64.37 1.18 Allowed 'General case' 0 C--O 1.214 -0.789 0 CA-C-O 115.468 -2.206 . . . . 10.0 112.264 174.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 65.4 m -47.26 -29.4 2.41 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.621 1.568 . . . . 10.0 112.654 174.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -61.15 -62.25 1.98 Allowed 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 125.187 1.395 . . . . 10.0 110.694 174.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -70.58 -25.14 62.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.614 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 22.4 t70 -54.44 -73.5 0.05 OUTLIER 'General case' 0 C--O 1.233 0.203 0 C-N-CA 125.663 1.585 . . . . 10.0 109.565 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.55 94.98 10.07 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 108.019 -1.104 . . . . 10.0 108.019 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -154.89 120.81 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 122.022 0.915 . . . . 10.0 109.155 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.636 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.5 t -74.92 -177.49 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 122.296 1.046 . . . . 10.0 109.672 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.636 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -85.41 -176.54 6.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.389 -0.819 . . . . 10.0 111.222 175.06 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -107.4 161.82 14.48 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.219 1.008 . . . . 10.0 109.968 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.5 t -155.12 92.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 106.267 -1.753 . . . . 10.0 106.267 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -47.24 134.62 11.05 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.188 0.595 . . . . 10.0 109.572 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -88.82 36.47 0.81 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 123.575 1.655 . . . . 10.0 109.96 -178.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.1 -175.79 5.1 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 120.212 -1.555 . . . . 10.0 109.859 178.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.548 HD12 ' H ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -164.2 157.37 17.85 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 177.747 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.548 ' H ' HD12 ' A' ' 43' ' ' LEU . 27.1 mp0 -76.6 165.82 24.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 123.502 1.62 . . . . 10.0 113.321 173.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -103.13 -171.8 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 120.418 -1.426 . . . . 10.0 110.708 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -147.42 147.41 30.21 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.861 -1.063 . . . . 10.0 109.364 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.44 85.38 58.66 Favored Pre-proline 0 CA--C 1.53 0.185 0 C-N-CA 123.402 0.681 . . . . 10.0 109.55 177.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -70.24 150.47 65.32 Favored 'Trans proline' 0 N--CA 1.449 -1.113 0 C-N-CA 121.863 1.709 . . . . 10.0 110.098 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -74.97 0.09 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.36 -0.836 . . . . 10.0 110.66 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 116.344 -1.789 . . . . 10.0 111.104 174.373 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 64.89 103.24 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 127.354 2.262 . . . . 10.0 113.405 176.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.01 -94.79 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.579 -1.326 . . . . 10.0 110.528 -174.178 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -53.04 -29.22 28.54 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.221 1.408 . . . . 10.0 113.328 175.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -79.93 -50.9 9.78 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 125.334 1.454 . . . . 10.0 113.075 170.525 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -57.86 -31.7 66.95 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.382 0.673 . . . . 10.0 111.944 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -73.0 -41.03 64.71 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 124.383 1.073 . . . . 10.0 112.766 170.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 t -65.32 -44.83 86.6 Favored 'General case' 0 C--O 1.206 -1.184 0 CA-C-N 118.67 0.668 . . . . 10.0 110.684 174.434 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -60.53 -54.41 45.84 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.766 1.226 . . . . 10.0 112.688 177.617 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -61.06 -51.56 68.67 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 122.084 0.945 . . . . 10.0 110.892 -179.539 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -66.5 -41.6 88.63 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.676 1.19 . . . . 10.0 112.495 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.5 t -60.26 -43.83 95.81 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.882 -0.784 . . . . 10.0 108.882 170.363 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -56.73 -31.27 64.38 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.102 -1.624 . . . . 10.0 114.129 175.901 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -60.97 -69.17 0.25 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.592 1.157 . . . . 10.0 111.483 170.343 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -60.39 -16.6 37.21 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 122.403 1.097 . . . . 10.0 113.346 175.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.8 t -79.81 -60.14 2.46 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 119.535 -1.978 . . . . 10.0 112.674 174.071 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -23.95 65.54 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.958 -1.089 . . . . 10.0 111.868 175.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -50.61 -40.15 52.02 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.666 1.986 . . . . 10.0 112.166 166.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -8.34 1.22 Allowed 'General case' 0 C--N 1.346 0.414 0 N-CA-C 114.589 1.329 . . . . 10.0 114.589 173.424 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.46 17.6 75.57 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 127.466 2.46 . . . . 10.0 112.711 -179.601 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -76.94 172.01 13.85 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 122.888 1.328 . . . . 10.0 112.425 177.301 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.62 148.37 40.12 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 115.114 -0.948 . . . . 10.0 111.832 174.138 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.91 -56.11 18.32 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.279 1.431 . . . . 10.0 112.469 178.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -53.69 -54.73 33.83 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.128 2.171 . . . . 10.0 112.242 178.808 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -54.07 -49.68 68.48 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 122.535 0.334 . . . . 10.0 110.538 174.74 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.56 -35.31 75.74 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 113.453 0.909 . . . . 10.0 113.453 175.624 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.28 -68.37 0.36 Allowed 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 125.731 1.613 . . . . 10.0 109.973 174.674 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -27.93 6.83 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.609 1.564 . . . . 10.0 112.758 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -79.91 -57.73 3.5 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 117.784 -1.103 . . . . 10.0 113.624 173.627 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.8 m -52.41 -29.41 24.15 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.816 2.046 . . . . 10.0 114.836 171.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -59.68 -66.08 0.57 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 128.442 2.697 . . . . 10.0 109.903 171.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 m -68.72 -25.76 64.92 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 118.086 -0.959 . . . . 10.0 112.201 178.326 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -56.22 -74.71 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.872 1.669 . . . . 10.0 110.029 176.826 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -91.93 80.11 5.22 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.899 -1.046 . . . . 10.0 108.314 -178.363 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 t -162.34 127.51 3.34 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 122.395 1.093 . . . . 10.0 110.377 179.112 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.565 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.4 t -73.42 -178.38 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 122.577 1.18 . . . . 10.0 109.379 175.692 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.565 ' H ' HG12 ' A' ' 36' ' ' VAL . 17.7 pttt -107.01 162.18 14.07 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 124.421 1.088 . . . . 10.0 110.336 175.785 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -60.56 164.76 4.24 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.563 1.164 . . . . 10.0 111.468 171.626 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 t -137.05 65.46 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 124.495 1.118 . . . . 10.0 109.621 -177.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 173.72 84.58 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.639 1.576 . . . . 10.0 114.183 178.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -109.55 31.99 5.36 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 123.527 1.632 . . . . 10.0 111.806 -178.436 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.84 63.74 0.65 Allowed 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.321 1.048 . . . . 10.0 110.086 -179.369 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.36 139.72 6.24 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 114.36 -1.291 . . . . 10.0 110.143 174.781 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.15 130.85 45.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 179.064 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -175.67 139.87 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.331 1.052 . . . . 10.0 108.389 176.244 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -166.36 144.51 5.45 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 179.174 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.93 152.77 52.17 Favored Pre-proline 0 N--CA 1.469 0.481 0 CA-C-O 118.627 -0.701 . . . . 10.0 111.503 175.054 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -69.9 179.79 3.52 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.567 2.178 . . . . 10.0 110.67 176.062 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.65 146.01 49.91 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 125.29 1.436 . . . . 10.0 107.486 174.874 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.5 p30 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 113.37 -3.205 . . . . 10.0 111.403 169.319 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.213 -0.863 0 N-CA-C 107.999 -1.111 . . . . 10.0 107.999 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 172.48 -41.85 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.339 1.456 . . . . 10.0 109.593 -173.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.74 -47.17 74.18 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.562 0.696 . . . . 10.0 112.012 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -48.7 -31.5 6.94 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.446 1.276 . . . . 10.0 114.446 175.662 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -88.45 -43.02 11.76 Favored 'General case' 0 C--O 1.212 -0.908 0 C-N-CA 126.78 2.032 . . . . 10.0 110.654 173.171 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -56.54 -33.5 66.15 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 120.674 1.579 . . . . 10.0 111.066 177.242 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.26 -38.81 63.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 123.236 0.614 . . . . 10.0 112.232 174.007 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.7 -43.84 83.32 Favored 'General case' 0 C--O 1.205 -1.25 0 O-C-N 123.992 0.808 . . . . 10.0 111.164 174.337 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -62.1 -52.55 63.43 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.321 0.648 . . . . 10.0 111.989 178.363 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.57 -52.0 66.23 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.251 1.024 . . . . 10.0 110.215 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.5 m -64.64 -45.29 87.44 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.931 0.892 . . . . 10.0 111.925 -179.5 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.4 t -56.99 -48.16 79.11 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 108.194 -1.039 . . . . 10.0 108.194 173.036 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -52.46 -33.18 43.22 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.745 -1.222 . . . . 10.0 113.658 176.421 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -60.82 -68.81 0.27 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.646 1.216 . . . . 10.0 111.77 173.584 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -19.48 44.45 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 123.205 1.479 . . . . 10.0 113.278 174.604 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.0 t -77.49 -61.94 1.82 Allowed 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 119.621 -1.925 . . . . 10.0 112.552 175.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -21.27 61.27 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.308 -0.86 . . . . 10.0 112.188 176.527 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -53.7 -38.37 64.18 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.926 1.291 . . . . 10.0 111.97 168.357 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -7.9 2.51 Favored 'General case' 0 C--O 1.243 0.737 0 N-CA-C 114.18 1.178 . . . . 10.0 114.18 174.364 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.5 20.65 76.53 Favored Glycine 0 C--N 1.344 0.983 0 C-N-CA 126.128 1.823 . . . . 10.0 110.947 179.2 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -76.56 175.09 9.6 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 123.603 1.668 . . . . 10.0 111.307 177.856 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.62 131.37 18.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.077 -1.015 . . . . 10.0 110.717 173.437 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.37 -58.03 1.63 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.246 1.818 . . . . 10.0 112.901 176.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.74 -59.43 3.82 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 126.874 2.07 . . . . 10.0 111.198 176.503 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -52.8 -46.2 67.56 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 122.638 0.375 . . . . 10.0 110.605 177.531 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -36.21 76.63 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-O 118.045 -0.979 . . . . 10.0 113.154 175.158 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -68.3 0.38 Allowed 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.591 1.156 . . . . 10.0 110.541 174.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.4 ttp -47.01 -29.78 2.28 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.408 1.483 . . . . 10.0 111.799 179.506 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.89 -60.74 2.23 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-O 117.015 -1.469 . . . . 10.0 112.453 174.888 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.1 m -47.45 -27.58 1.78 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.737 1.615 . . . . 10.0 113.72 173.533 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -62.06 -63.17 1.33 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 126.244 1.818 . . . . 10.0 111.002 172.675 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -72.55 -21.76 61.11 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.232 -0.917 . . . . 10.0 111.604 177.214 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -56.01 -70.6 0.11 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.96 1.704 . . . . 10.0 109.991 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.1 38.63 0.54 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 123.303 1.525 . . . . 10.0 112.653 179.486 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.11 54.24 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.845 1.658 . . . . 10.0 110.406 -176.889 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.574 HG22 ' H ' ' A' ' 37' ' ' LYS . 1.0 OUTLIER -59.57 -174.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 119.729 -1.857 . . . . 10.0 111.097 175.077 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.574 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -159.2 169.64 23.7 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.27 -0.877 . . . . 10.0 110.207 176.473 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -152.53 122.86 7.19 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 178.328 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 39' ' ' VAL . 5.9 p -122.36 52.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 123.69 0.796 . . . . 10.0 110.205 178.724 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -42.01 114.09 0.51 Allowed 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.55 0.74 . . . . 10.0 109.679 -177.508 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.32 121.41 10.09 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.41 1.694 . . . . 10.0 106.687 -175.839 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.59 125.12 5.57 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.313 -1.365 . . . . 10.0 107.313 -179.403 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 mt -51.78 127.17 20.04 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 -177.687 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -130.6 138.13 49.98 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.524 -1.288 . . . . 10.0 107.524 -174.42 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 178.35 -45.93 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.582 0.706 . . . . 10.0 110.583 178.584 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -41.4 126.37 2.79 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.338 1.855 . . . . 10.0 110.308 177.543 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.92 73.85 0.65 Allowed Pre-proline 0 CA--C 1.533 0.293 0 O-C-N 121.182 -0.949 . . . . 10.0 109.391 179.235 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -66.69 145.2 74.82 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 120.866 1.044 . . . . 10.0 109.756 176.446 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -179.99 1.37 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.501 0.72 . . . . 10.0 111.406 172.415 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.9 m120 . . . . . 0 C--O 1.272 2.268 0 C-N-CA 125.091 1.356 . . . . 10.0 112.257 173.625 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 CA--C 1.508 -0.647 0 N-CA-C 107.785 -1.191 . . . . 10.0 107.785 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -179.53 120.08 0.07 Allowed 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 -177.92 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 2' ' ' GLU . . . 168.93 -96.69 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.618 0 O-C-N 123.929 0.768 . . . . 10.0 110.941 179.396 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.44 -29.2 3.84 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.221 1.008 . . . . 10.0 111.708 176.497 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -86.44 -44.19 12.2 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 124.081 0.953 . . . . 10.0 111.175 175.519 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -56.96 -27.33 61.12 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 118.919 0.781 . . . . 10.0 111.579 175.709 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.97 -33.1 30.38 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 109.929 -0.397 . . . . 10.0 109.929 177.151 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 0.7 OUTLIER -73.35 -42.92 61.67 Favored 'General case' 0 C--O 1.195 -1.78 0 CA-C-O 117.948 -1.025 . . . . 10.0 109.108 176.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -62.86 -51.75 65.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 120.593 1.542 . . . . 10.0 110.998 178.524 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -61.53 -51.97 66.39 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 122.293 1.044 . . . . 10.0 109.823 -179.784 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.4 m -64.1 -46.29 84.9 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.621 -178.907 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.536 ' HG ' ' HG ' ' A' ' 30' ' ' CYS . 34.9 t -56.41 -45.83 80.47 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 107.936 -1.135 . . . . 10.0 107.936 176.912 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.584 ' HE1' ' O ' ' A' ' 23' ' ' PHE . 7.0 t60 -53.56 -40.67 65.77 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-O 118.102 -0.951 . . . . 10.0 110.243 177.683 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -54.1 -69.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 119.258 0.936 . . . . 10.0 111.312 176.086 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -16.32 22.3 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 122.848 1.309 . . . . 10.0 112.074 176.087 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.8 t -78.7 -68.39 0.65 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.719 -1.863 . . . . 10.0 109.308 178.23 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.43 -26.2 4.77 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.317 1.447 . . . . 10.0 110.168 177.891 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.62 -36.68 46.87 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 124.04 0.936 . . . . 10.0 112.093 172.083 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -14.16 9.78 Favored 'General case' 0 N--CA 1.444 -0.728 0 O-C-N 121.108 -0.995 . . . . 10.0 112.152 174.892 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.85 19.45 72.96 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 125.843 1.687 . . . . 10.0 109.782 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -75.82 -179.58 4.89 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 122.363 1.078 . . . . 10.0 111.674 177.325 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.37 130.28 9.96 Favored Glycine 0 C--O 1.223 -0.554 0 N-CA-C 110.656 -0.978 . . . . 10.0 110.656 176.089 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.584 ' O ' ' HE1' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -39.47 -60.01 1.01 Allowed 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 124.93 1.292 . . . . 10.0 112.213 178.067 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -47.99 -58.7 4.09 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 124.988 1.43 . . . . 10.0 110.702 179.102 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.436 ' N ' HG22 ' A' ' 24' ' ' THR . 56.2 t80 -53.55 -47.58 69.9 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 122.813 0.445 . . . . 10.0 110.646 178.454 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -36.68 71.83 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-O 118.907 -0.568 . . . . 10.0 110.933 175.819 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -66.6 0.53 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.031 1.332 . . . . 10.0 110.742 177.283 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 mtt -50.64 -36.5 35.69 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.419 0.628 . . . . 10.0 111.353 179.324 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -70.09 -63.94 0.99 Allowed 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 115.971 -1.966 . . . . 10.0 110.448 177.69 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.536 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 56.3 m -45.75 -27.13 0.76 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.949 1.406 . . . . 10.0 111.301 175.72 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -60.7 -61.31 2.68 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 122.147 0.975 . . . . 10.0 111.093 174.404 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -73.08 -21.94 60.68 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.782 -0.644 . . . . 10.0 111.413 177.836 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -53.09 -73.96 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.271 1.028 . . . . 10.0 108.929 177.911 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.42 83.66 6.89 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 106.942 -1.503 . . . . 10.0 106.942 -176.087 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.43 145.71 0.59 Allowed 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.546 -1.279 . . . . 10.0 107.546 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.628 HG22 ' H ' ' A' ' 37' ' ' LYS . 1.1 p -58.38 -168.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 122.943 1.354 . . . . 10.0 111.04 175.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.628 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -170.71 -165.19 0.42 Allowed 'General case' 0 C--N 1.322 -0.587 0 O-C-N 120.357 -1.465 . . . . 10.0 109.743 175.505 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -65.7 173.84 2.62 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.575 1.172 . . . . 10.0 110.766 175.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.4 t -155.12 86.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.635 0 N-CA-C 107.746 -1.205 . . . . 10.0 107.746 -179.314 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -44.23 140.95 1.97 Allowed 'General case' 0 C--O 1.237 0.401 0 O-C-N 124.723 1.265 . . . . 10.0 110.117 178.566 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -83.96 163.02 20.24 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.248 -1.019 . . . . 10.0 108.248 -176.365 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.435 ' HD2' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -46.82 122.73 4.51 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 107.915 -1.143 . . . . 10.0 107.915 179.034 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.435 HD23 ' HD2' ' A' ' 42' ' ' LYS . 1.4 pt? -42.85 155.33 0.05 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.914 2.009 . . . . 10.0 110.264 179.379 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.13 173.03 12.95 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.834 179.065 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.27 136.39 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.946 1.831 . . . . 10.0 109.78 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -123.9 173.34 8.27 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 119.99 -1.694 . . . . 10.0 110.157 -178.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -61.47 155.82 56.44 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.266 176.139 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -73.89 148.29 40.5 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 122.001 1.801 . . . . 10.0 110.948 178.597 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -102.8 159.5 15.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.2 177.494 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 CA--C 1.546 0.808 0 CA-C-O 116.251 -1.833 . . . . 10.0 111.578 178.298 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 119.77 -0.157 . . . . 10.0 110.589 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -57.92 -32.8 68.12 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.158 1.54 . . . . 10.0 115.158 176.217 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.78 -48.41 59.47 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 118.174 -0.917 . . . . 10.0 112.737 177.725 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.49 -28.53 13.67 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.725 2.01 . . . . 10.0 115.586 172.353 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -88.84 -45.33 9.83 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 125.258 1.423 . . . . 10.0 110.779 170.313 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.31 -35.2 69.55 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.602 1.561 . . . . 10.0 112.615 178.425 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.68 -44.18 78.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.328 1.018 . . . . 10.0 111.507 171.473 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -46.46 76.62 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 125.1 1.5 . . . . 10.0 108.216 -178.539 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -59.11 -54.91 41.7 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 114.243 1.201 . . . . 10.0 114.243 174.218 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.81 -52.21 66.68 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 122.26 1.029 . . . . 10.0 111.731 178.179 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.8 m -67.0 -43.68 82.3 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.967 1.707 . . . . 10.0 113.701 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.7 t -58.98 -42.42 89.96 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 167.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -58.09 -35.33 71.27 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 119.849 -1.782 . . . . 10.0 115.347 172.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -59.08 -65.61 0.64 Allowed 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 116.953 -1.499 . . . . 10.0 112.003 168.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.93 -27.56 65.41 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 122.853 1.311 . . . . 10.0 114.432 176.047 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.6 t -75.37 -55.69 5.45 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 119.736 -1.852 . . . . 10.0 112.806 179.306 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -24.2 64.68 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.07 -1.423 . . . . 10.0 113.141 174.2 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -53.9 -41.62 67.81 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 127.304 2.242 . . . . 10.0 111.755 168.219 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -7.71 1.92 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.418 1.266 . . . . 10.0 114.418 173.905 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.65 16.44 61.81 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 127.847 2.641 . . . . 10.0 113.237 178.867 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.435 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 5.3 m-20 -72.66 173.61 8.76 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-O 122.668 1.223 . . . . 10.0 111.784 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.97 125.69 9.16 Favored Glycine 0 CA--C 1.539 1.58 0 O-C-N 120.76 -1.212 . . . . 10.0 110.613 174.699 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -38.28 -62.66 0.56 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 126.267 1.827 . . . . 10.0 113.46 177.198 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -51.41 -55.06 20.7 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 126.738 2.015 . . . . 10.0 114.115 175.115 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -54.67 -45.4 73.87 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.815 0.846 . . . . 10.0 111.861 176.668 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 21' ' ' ASN . 0.7 OUTLIER -59.84 -41.36 91.22 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 124.46 1.104 . . . . 10.0 112.166 173.647 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.2 -61.94 2.26 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.185 0.994 . . . . 10.0 110.758 174.356 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.62 -28.24 8.41 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.74 1.616 . . . . 10.0 113.706 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -82.29 -56.49 3.88 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 116.926 -1.511 . . . . 10.0 113.037 172.68 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 99.6 m -46.82 -27.99 1.41 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 129.168 2.987 . . . . 10.0 115.893 171.033 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.72 -65.67 0.65 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.431 2.692 . . . . 10.0 111.361 169.337 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -73.14 -13.9 61.27 Favored 'General case' 0 CA--C 1.562 1.436 0 N-CA-C 113.81 1.041 . . . . 10.0 113.81 174.043 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.94 -67.79 0.39 Allowed 'General case' 0 N--CA 1.474 0.725 0 O-C-N 120.09 -1.631 . . . . 10.0 111.132 177.546 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.4 m -81.27 32.17 0.34 Allowed 'General case' 0 C--O 1.252 1.204 0 C-N-CA 125.359 1.464 . . . . 10.0 113.636 178.784 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 t -148.04 147.74 29.91 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 113.434 -1.712 . . . . 10.0 110.924 178.566 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.576 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.5 t -81.87 177.53 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 O-C-N 119.9 -1.75 . . . . 10.0 111.158 172.096 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.576 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -154.19 -177.69 6.61 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.623 1.169 . . . . 10.0 112.08 177.44 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.02 109.93 21.28 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.778 1.631 . . . . 10.0 111.789 175.88 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 p -109.35 65.07 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.512 1.525 . . . . 10.0 110.028 179.127 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -52.72 122.99 10.13 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.172 -0.955 . . . . 10.0 112.332 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -121.69 31.38 6.29 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 127.387 2.275 . . . . 10.0 111.141 -172.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -117.96 59.64 0.79 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.587 1.955 . . . . 10.0 108.624 173.359 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.28 162.45 0.33 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 113.224 -1.807 . . . . 10.0 111.217 167.816 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.3 159.72 1.87 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 122.323 1.059 . . . . 10.0 113.333 177.881 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.04 -46.77 0.06 Allowed 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 122.442 1.115 . . . . 10.0 113.343 -173.768 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -40.97 105.47 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 127.616 2.366 . . . . 10.0 110.285 174.065 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -94.92 150.87 38.44 Favored Pre-proline 0 C--O 1.239 0.5 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.67 -178.557 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -65.37 167.5 16.55 Favored 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 121.486 1.458 . . . . 10.0 109.901 174.496 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.435 ' HE2' ' OXT' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -125.99 153.55 44.18 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.806 2.042 . . . . 10.0 109.832 174.335 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.435 ' OXT' ' HE2' ' A' ' 49' ' ' LYS . 9.4 t-20 . . . . . 0 C--O 1.247 0.943 0 C-N-CA 129.003 2.921 . . . . 10.0 104.494 175.602 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 108.183 -1.043 . . . . 10.0 108.183 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -122.48 119.22 30.28 Favored 'General case' 0 C--O 1.214 -0.793 0 C-N-CA 125.439 1.496 . . . . 10.0 108.282 -179.919 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 2' ' ' GLU . . . 165.26 -96.59 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.762 0.425 . . . . 10.0 109.983 179.1 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -49.55 -29.44 6.92 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 122.665 1.221 . . . . 10.0 112.0 178.085 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -83.57 -48.21 10.48 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 125.176 1.39 . . . . 10.0 111.121 177.442 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -30.37 62.25 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 117.941 0.337 . . . . 10.0 110.631 177.667 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -77.92 -36.58 49.29 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.758 -1.115 . . . . 10.0 111.43 177.21 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -44.1 73.73 Favored 'General case' 0 C--O 1.201 -1.488 0 O-C-N 124.585 1.178 . . . . 10.0 110.986 174.202 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.424 ' CE1' ' HG2' ' A' ' 27' ' ' GLU . 25.9 t80 -61.92 -52.46 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 119.378 0.99 . . . . 10.0 112.224 177.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.29 -51.87 67.71 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 122.135 0.969 . . . . 10.0 110.022 179.604 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -66.21 -46.47 77.12 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.255 -0.884 . . . . 10.0 111.05 -178.06 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.3 t -54.89 -44.8 74.43 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 173.395 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.442 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.5 t-80 -55.9 -39.96 72.33 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 121.027 -1.046 . . . . 10.0 112.509 175.889 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -56.81 -68.93 0.18 Allowed 'General case' 0 C--O 1.212 -0.921 0 CA-C-O 116.148 -1.882 . . . . 10.0 110.422 173.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.45 -27.12 55.87 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 123.061 1.41 . . . . 10.0 113.468 176.789 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.32 -70.45 0.32 Allowed 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 120.176 -1.578 . . . . 10.0 109.361 178.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -24.65 63.06 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 121.568 -0.708 . . . . 10.0 111.354 177.588 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.87 -37.76 74.5 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.363 1.465 . . . . 10.0 110.881 173.354 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -62.36 -10.1 10.23 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 112.631 0.604 . . . . 10.0 112.631 174.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.4 21.56 29.19 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 126.041 1.781 . . . . 10.0 110.969 177.415 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.462 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -78.34 177.59 8.33 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 123.678 1.704 . . . . 10.0 110.03 -178.202 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.7 128.99 8.78 Favored Glycine 0 C--O 1.223 -0.578 0 O-C-N 120.579 -1.326 . . . . 10.0 110.069 176.121 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -39.09 -62.39 0.65 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.661 1.184 . . . . 10.0 112.051 177.019 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.42 -58.99 5.18 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.201 1.0 . . . . 10.0 111.199 -178.816 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -52.9 -40.35 63.47 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.934 -0.576 . . . . 10.0 112.109 177.813 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -60.92 -38.89 87.34 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 124.465 1.106 . . . . 10.0 110.864 176.412 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 0.7 OUTLIER -62.26 -65.56 0.67 Allowed 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 117.47 -1.252 . . . . 10.0 110.811 173.357 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.52 -25.65 2.86 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.514 1.149 . . . . 10.0 112.875 -179.481 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -83.16 -63.7 1.31 Allowed 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 116.675 -1.631 . . . . 10.0 112.372 175.166 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 61.0 m -46.47 -28.7 1.47 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.995 1.718 . . . . 10.0 112.462 174.265 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.2 -64.24 1.02 Allowed 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 125.645 1.578 . . . . 10.0 109.521 173.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -69.46 -25.49 64.11 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 123.568 0.542 . . . . 10.0 112.199 178.491 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -55.14 -73.17 0.06 Allowed 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.63 1.172 . . . . 10.0 109.597 177.793 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.24 79.45 3.15 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.827 -1.175 . . . . 10.0 107.827 -178.369 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 p -172.18 96.8 0.16 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 125.033 2.349 . . . . 10.0 111.368 -178.341 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.666 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.6 t -76.11 -174.72 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 O-C-N 120.287 -1.508 . . . . 10.0 109.185 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.666 ' H ' HG12 ' A' ' 36' ' ' VAL . 4.0 mmtt -53.6 150.01 7.47 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.322 -0.861 . . . . 10.0 111.407 174.542 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -97.31 130.77 44.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.086 -0.961 . . . . 10.0 108.826 -179.106 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 39' ' ' VAL . 7.8 p -119.26 63.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 122.139 0.971 . . . . 10.0 108.889 179.047 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.09 143.85 2.15 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.614 -0.679 . . . . 10.0 111.212 -179.457 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -72.41 165.14 25.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.082 0.944 . . . . 10.0 110.493 -179.223 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 94.18 0.21 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.238 177.424 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.3 mt -45.91 127.0 7.86 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.422 1.089 . . . . 10.0 108.761 -177.778 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.23 165.42 19.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.523 0.677 . . . . 10.0 109.963 -178.253 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -138.23 -62.43 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.268 0.556 . . . . 10.0 110.085 176.618 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -155.28 153.69 30.97 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.166 -0.925 . . . . 10.0 109.954 -175.915 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.06 81.18 4.21 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.108 177.191 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -70.61 149.57 61.7 Favored 'Trans proline' 0 N--CA 1.444 -1.393 0 C-N-CA 121.295 1.33 . . . . 10.0 110.14 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.78 -23.28 62.36 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.649 -0.705 . . . . 10.0 112.265 175.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--O 1.246 0.877 0 C-N-CA 127.012 2.125 . . . . 10.0 111.887 177.812 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.98 -0.533 . . . . 10.0 111.945 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -46.61 -33.0 3.83 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.804 1.039 . . . . 10.0 113.804 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -87.08 -44.82 11.26 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 125.578 1.551 . . . . 10.0 109.804 174.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -54.79 -28.74 51.27 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.905 1.684 . . . . 10.0 111.622 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.5 -40.08 51.2 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 123.026 0.53 . . . . 10.0 110.845 174.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.0 -43.42 78.91 Favored 'General case' 0 C--O 1.196 -1.73 0 O-C-N 121.235 -0.916 . . . . 10.0 109.73 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -61.74 -52.53 63.86 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 120.839 1.654 . . . . 10.0 112.294 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -61.23 -53.23 59.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.813 1.292 . . . . 10.0 110.447 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -64.53 -44.13 91.81 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 124.087 0.955 . . . . 10.0 110.914 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -55.85 -46.47 78.19 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 108.288 -1.004 . . . . 10.0 108.288 173.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -54.6 -39.46 67.9 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 119.79 1.177 . . . . 10.0 112.368 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -61.11 2.64 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 123.519 0.728 . . . . 10.0 111.87 173.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -66.61 -10.01 41.35 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.791 1.282 . . . . 10.0 112.168 173.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.2 t -83.55 -62.57 1.55 Allowed 'General case' 0 N--CA 1.437 -1.097 0 O-C-N 118.903 -2.373 . . . . 10.0 108.551 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -26.63 9.36 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 124.273 1.029 . . . . 10.0 111.695 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.02 -37.34 44.61 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.693 1.197 . . . . 10.0 112.455 170.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -12.96 4.93 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.289 -0.882 . . . . 10.0 112.828 174.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.05 7.77 87.41 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 127.188 2.328 . . . . 10.0 111.767 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -69.91 177.73 3.0 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 123.111 1.434 . . . . 10.0 111.769 174.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.66 156.98 35.52 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.87 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.38 -56.68 18.99 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 123.764 0.826 . . . . 10.0 111.543 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.09 -58.14 6.87 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.903 1.281 . . . . 10.0 111.22 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -56.24 -38.35 70.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 121.535 -0.728 . . . . 10.0 110.681 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -61.67 -37.65 84.86 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 117.634 -1.174 . . . . 10.0 111.618 174.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -65.53 0.67 Allowed 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 125.903 1.681 . . . . 10.0 111.125 175.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -25.1 6.43 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.624 0.77 . . . . 10.0 112.601 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.87 -63.87 1.26 Allowed 'General case' 0 C--O 1.205 -1.274 0 CA-C-O 115.557 -2.163 . . . . 10.0 112.296 174.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.9 m -44.7 -29.02 0.69 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.576 1.95 . . . . 10.0 112.673 173.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -61.27 -63.24 1.35 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.11 1.364 . . . . 10.0 110.812 173.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -72.68 -17.94 61.59 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 118.25 -0.881 . . . . 10.0 111.625 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -58.06 -69.46 0.18 Allowed 'General case' 0 C--O 1.233 0.225 0 C-N-CA 125.587 1.555 . . . . 10.0 109.647 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 N--CA 1.447 -0.619 0 CA-C-O 121.75 0.786 . . . . 10.0 109.579 -178.513 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 114.287 1.217 . . . . 10.0 114.287 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -46.81 -33.33 4.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.29 1.036 . . . . 10.0 112.369 174.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -92.4 -39.69 11.3 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 126.35 1.86 . . . . 10.0 110.451 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -53.19 -33.65 53.59 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 125.199 1.4 . . . . 10.0 110.449 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.8 -43.54 65.48 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 123.116 0.566 . . . . 10.0 111.073 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -44.01 91.89 Favored 'General case' 0 C--O 1.198 -1.614 0 CA-C-O 118.431 -0.795 . . . . 10.0 110.53 176.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -61.43 -52.45 64.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 120.444 1.474 . . . . 10.0 112.316 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -61.55 -53.54 55.04 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.995 0.918 . . . . 10.0 110.081 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.3 m -63.98 -43.81 94.59 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.965 1.306 . . . . 10.0 111.033 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.0 -48.22 78.99 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 107.978 -1.119 . . . . 10.0 107.978 173.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 16' ' ' CYS . 10.3 t-80 -52.97 -37.62 61.38 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 119.613 1.097 . . . . 10.0 112.763 177.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -56.19 -64.34 0.89 Allowed 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 124.282 1.033 . . . . 10.0 111.691 173.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -66.21 -8.71 26.09 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 122.434 1.111 . . . . 10.0 112.736 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . 23.6 t -85.59 -60.0 2.15 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 119.623 -1.923 . . . . 10.0 109.598 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -25.12 10.87 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.658 1.183 . . . . 10.0 112.188 173.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.98 -36.51 49.89 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.63 1.172 . . . . 10.0 111.984 170.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -11.45 4.6 Favored 'General case' 0 C--N 1.342 0.258 0 O-C-N 120.997 -1.064 . . . . 10.0 113.355 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.37 7.72 87.98 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 127.262 2.363 . . . . 10.0 111.764 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -72.48 177.05 4.87 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 123.737 1.732 . . . . 10.0 111.717 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.46 149.81 23.98 Favored Glycine 0 C--N 1.333 0.373 0 CA-C-N 114.893 -1.049 . . . . 10.0 111.389 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -51.88 -43.64 63.38 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 117.943 -1.027 . . . . 10.0 112.276 177.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -60.31 -60.33 3.99 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.724 1.61 . . . . 10.0 110.627 -176.146 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.405 ' N ' HG22 ' A' ' 24' ' ' THR . 39.9 t80 -56.21 -39.48 72.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 121.868 -0.52 . . . . 10.0 110.404 175.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -33.68 76.02 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-O 117.822 -1.085 . . . . 10.0 111.775 175.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.07 -63.11 1.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 125.001 1.32 . . . . 10.0 109.666 177.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.8 ttm -55.76 -21.65 20.1 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.226 0.61 . . . . 10.0 112.488 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -86.76 -62.94 1.39 Allowed 'General case' 0 C--O 1.209 -1.029 0 CA-C-O 115.77 -2.062 . . . . 10.0 111.62 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 55.9 m -45.44 -29.73 1.19 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 127.707 2.403 . . . . 10.0 112.545 173.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -59.03 -66.18 0.55 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.441 1.096 . . . . 10.0 109.638 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -72.49 -14.8 61.75 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.256 -0.903 . . . . 10.0 112.731 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 4.6 t70 -60.34 -71.88 0.12 Allowed 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 126.039 1.736 . . . . 10.0 108.718 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.2 m . . . . . 0 N--CA 1.446 -0.664 0 N-CA-C 109.692 -0.485 . . . . 10.0 109.692 178.668 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.498 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -32.1 2.37 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.959 0.885 . . . . 10.0 113.087 175.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -89.76 -42.57 11.22 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 125.199 1.4 . . . . 10.0 109.526 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -30.32 65.52 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.423 1.011 . . . . 10.0 110.959 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -75.8 -38.3 58.36 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 123.346 0.658 . . . . 10.0 112.081 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -44.27 76.66 Favored 'General case' 0 C--O 1.205 -1.278 0 C-N-CA 120.143 -0.623 . . . . 10.0 111.204 175.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -60.85 -52.09 66.53 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 123.758 0.823 . . . . 10.0 112.441 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -60.97 -53.47 56.86 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 122.275 1.036 . . . . 10.0 110.351 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.0 m -64.58 -45.12 88.39 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 124.353 1.061 . . . . 10.0 110.704 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.6 t -55.63 -48.08 75.54 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 108.618 -0.882 . . . . 10.0 108.618 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.466 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 4.4 t-80 -51.35 -40.3 58.84 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 121.662 -0.649 . . . . 10.0 112.748 176.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -66.97 0.29 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 118.664 -0.684 . . . . 10.0 111.829 173.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -64.33 -9.82 20.27 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.246 1.022 . . . . 10.0 112.317 175.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 9.9 t -83.95 -61.76 1.74 Allowed 'General case' 0 C--O 1.218 -0.57 0 O-C-N 120.6 -1.313 . . . . 10.0 110.039 178.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.02 -24.66 3.94 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.633 1.173 . . . . 10.0 111.975 174.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.03 -32.57 34.86 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.531 1.132 . . . . 10.0 110.978 171.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -61.34 -10.09 6.52 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 121.102 -0.999 . . . . 10.0 112.519 176.192 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.8 8.44 87.48 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 125.912 1.72 . . . . 10.0 111.631 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -76.19 178.79 6.14 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 123.376 1.56 . . . . 10.0 111.039 175.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.49 154.63 33.07 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 114.588 -1.187 . . . . 10.0 111.737 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.466 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 48.4 p90 -54.8 -52.61 62.11 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 114.642 -0.779 . . . . 10.0 111.02 176.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.429 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -54.2 -58.83 5.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 122.237 1.018 . . . . 10.0 111.814 -175.226 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.417 ' N ' HG22 ' A' ' 24' ' ' THR . 39.7 t80 -51.77 -47.01 64.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.193 -0.912 . . . . 10.0 110.951 177.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.15 -34.39 77.51 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-O 118.456 -0.783 . . . . 10.0 112.13 175.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -59.1 5.84 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 125.376 1.47 . . . . 10.0 108.818 177.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 ttt -60.77 -14.62 22.55 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.584 0.707 . . . . 10.0 112.253 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.49 -62.96 1.29 Allowed 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 118.267 -0.873 . . . . 10.0 112.406 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.451 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 57.8 m -45.06 -29.81 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 126.512 1.925 . . . . 10.0 111.806 171.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -58.45 -63.27 1.34 Allowed 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.838 173.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -70.49 -22.07 62.7 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.757 0.423 . . . . 10.0 111.636 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.451 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 14.3 t70 -56.76 -72.97 0.07 Allowed 'General case' 0 C--O 1.236 0.373 0 O-C-N 120.619 -1.301 . . . . 10.0 110.43 176.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 121.5 0.667 . . . . 10.0 110.322 179.785 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.654 0 CA-C-O 118.55 -0.738 . . . . 10.0 110.75 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -53.77 -27.66 30.24 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 125.029 1.332 . . . . 10.0 112.178 177.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -83.32 -47.7 11.2 Favored 'General case' 0 C--O 1.215 -0.732 0 C-N-CA 125.366 1.466 . . . . 10.0 112.556 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -57.81 -29.65 65.07 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 123.239 0.616 . . . . 10.0 111.721 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -39.05 47.41 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 124.508 1.123 . . . . 10.0 110.681 175.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -41.21 73.33 Favored 'General case' 0 C--O 1.197 -1.709 0 CA-C-N 119.851 1.205 . . . . 10.0 109.15 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -62.54 -52.45 63.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 121.73 2.059 . . . . 10.0 112.052 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -62.1 -51.45 67.87 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 122.492 1.139 . . . . 10.0 110.231 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.7 m -66.65 -41.63 87.92 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.227 1.011 . . . . 10.0 111.862 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -58.65 -45.15 89.94 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 172.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.473 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 3.2 t-80 -56.52 -36.83 69.66 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 121.025 1.738 . . . . 10.0 113.155 176.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -60.14 4.16 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 117.698 -1.144 . . . . 10.0 112.458 172.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -69.39 -8.02 42.84 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 122.759 1.266 . . . . 10.0 112.784 173.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.0 t -85.43 -60.84 1.91 Allowed 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 119.009 -2.307 . . . . 10.0 108.96 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -24.92 31.19 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 118.03 -0.986 . . . . 10.0 112.213 175.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -50.26 -38.99 43.65 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.317 1.447 . . . . 10.0 112.73 168.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -11.45 3.15 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 113.682 0.993 . . . . 10.0 113.682 173.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.0 7.37 88.66 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 127.437 2.446 . . . . 10.0 111.742 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -69.32 176.19 3.5 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 123.469 1.604 . . . . 10.0 112.275 173.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.96 158.39 36.55 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 114.855 -1.066 . . . . 10.0 112.296 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -61.66 -54.46 42.47 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 125.465 1.506 . . . . 10.0 112.897 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.51 -56.03 18.0 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.083 1.753 . . . . 10.0 111.443 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -57.13 -41.36 78.93 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.722 -0.611 . . . . 10.0 110.805 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.473 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -61.82 -34.02 75.19 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 117.608 -1.187 . . . . 10.0 112.596 174.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -66.49 0.54 Allowed 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 126.002 1.721 . . . . 10.0 109.896 176.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -27.07 7.97 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.462 1.028 . . . . 10.0 112.618 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -80.62 -64.17 1.25 Allowed 'General case' 0 C--O 1.209 -1.062 0 CA-C-O 115.828 -2.034 . . . . 10.0 111.469 174.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 67.3 m -47.51 -29.55 2.86 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.533 1.933 . . . . 10.0 113.864 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -59.31 -64.22 1.02 Allowed 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 126.951 2.101 . . . . 10.0 110.603 172.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -71.81 -18.75 62.07 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.012 -0.995 . . . . 10.0 112.031 176.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -60.77 -71.41 0.14 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 118.409 -2.682 . . . . 10.0 109.162 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 N--CA 1.443 -0.8 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.893 179.61 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.762 0 N-CA-C 113.067 0.766 . . . . 10.0 113.067 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -47.31 -34.74 7.07 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.704 1.372 . . . . 10.0 114.704 171.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -87.43 -43.11 12.32 Favored 'General case' 0 C--O 1.212 -0.881 0 C-N-CA 127.053 2.141 . . . . 10.0 109.698 173.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -57.17 -31.75 65.71 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 121.095 1.77 . . . . 10.0 112.412 177.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.26 -39.17 63.19 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.335 1.054 . . . . 10.0 111.779 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -43.81 77.75 Favored 'General case' 0 C--O 1.199 -1.567 0 CA-C-N 119.499 1.045 . . . . 10.0 110.436 175.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -61.41 -52.85 62.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 120.865 1.666 . . . . 10.0 112.134 177.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -60.01 -52.8 63.83 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 122.613 1.197 . . . . 10.0 110.791 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.3 m -66.29 -44.91 82.2 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.53 1.132 . . . . 10.0 110.886 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.2 t -56.65 -45.03 81.85 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 173.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.401 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 4.0 t-80 -55.39 -36.69 66.67 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 123.921 0.888 . . . . 10.0 113.214 175.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -65.76 0.52 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.944 0.793 . . . . 10.0 112.695 171.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -64.92 -10.43 28.89 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 122.596 1.189 . . . . 10.0 113.081 173.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.1 t -83.9 -60.12 2.21 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 119.492 -2.005 . . . . 10.0 111.605 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.11 -24.27 17.08 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 117.207 -1.377 . . . . 10.0 112.489 173.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -50.9 -37.63 44.95 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.522 1.529 . . . . 10.0 112.238 167.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -11.04 3.06 Favored 'General case' 0 C--N 1.342 0.247 0 O-C-N 120.827 -1.171 . . . . 10.0 113.994 173.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.79 15.43 79.32 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 126.974 2.226 . . . . 10.0 111.339 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -77.37 174.94 10.24 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 123.0 1.381 . . . . 10.0 112.151 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.55 145.51 30.41 Favored Glycine 0 C--N 1.329 0.18 0 CA-C-N 115.32 -0.855 . . . . 10.0 111.569 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.401 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 8.9 p90 -46.39 -52.38 13.07 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 124.902 1.281 . . . . 10.0 110.429 174.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -57.44 12.39 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.02 1.328 . . . . 10.0 111.991 -175.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -55.57 -50.5 69.91 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.795 -0.566 . . . . 10.0 110.355 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.6 -32.61 69.15 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-O 117.354 -1.307 . . . . 10.0 113.273 174.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -66.49 0.54 Allowed 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 128.166 2.586 . . . . 10.0 108.839 176.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.5 mtp -54.01 -29.86 45.19 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.475 0.58 . . . . 10.0 112.547 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -76.42 -59.78 2.62 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 116.868 -1.539 . . . . 10.0 112.333 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.4 m -47.1 -28.89 1.92 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 126.632 1.973 . . . . 10.0 113.41 170.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -59.6 -63.21 1.38 Allowed 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 125.114 1.365 . . . . 10.0 110.937 172.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -71.25 -21.99 62.04 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.172 0.589 . . . . 10.0 111.856 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -56.2 -71.23 0.09 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 119.676 -1.89 . . . . 10.0 111.287 174.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 CA--C 1.531 0.24 0 CA-C-O 122.238 1.018 . . . . 10.0 110.779 -178.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.574 0 CA-C-O 119.05 -0.5 . . . . 10.0 111.882 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -44.93 -33.1 1.86 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.466 0.913 . . . . 10.0 113.466 174.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -89.46 -42.37 11.52 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 125.561 1.544 . . . . 10.0 110.589 174.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -56.76 -29.9 63.06 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 120.189 1.359 . . . . 10.0 111.59 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -78.37 -34.74 48.07 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 123.931 0.892 . . . . 10.0 111.17 174.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.54 -43.19 66.86 Favored 'General case' 0 C--O 1.197 -1.677 0 CA-C-O 118.2 -0.905 . . . . 10.0 110.045 175.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -62.49 -51.65 66.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 120.314 1.416 . . . . 10.0 111.526 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -61.3 -52.39 64.9 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 122.407 1.099 . . . . 10.0 110.211 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.4 m -64.69 -44.96 88.63 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.235 -0.893 . . . . 10.0 110.819 -178.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.1 t -56.61 -46.16 81.07 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.786 -0.82 . . . . 10.0 108.786 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -53.31 -40.42 64.77 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 118.304 -0.855 . . . . 10.0 111.298 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -66.48 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 118.939 0.79 . . . . 10.0 111.725 174.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.76 -13.19 30.09 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-O 123.205 1.479 . . . . 10.0 112.404 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.3 t -81.05 -64.78 1.11 Allowed 'General case' 0 N--CA 1.439 -1.015 0 O-C-N 119.376 -2.077 . . . . 10.0 110.223 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -24.78 5.18 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 125.078 1.351 . . . . 10.0 111.23 175.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.47 -36.76 45.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.236 1.014 . . . . 10.0 111.736 170.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -12.71 4.3 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.257 -0.902 . . . . 10.0 112.966 175.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.52 15.57 77.81 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 125.67 1.605 . . . . 10.0 110.123 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -78.9 178.91 7.61 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 122.584 1.183 . . . . 10.0 111.478 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.92 150.3 35.72 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.382 -0.826 . . . . 10.0 111.887 174.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -57.14 -56.06 26.65 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 117.824 -1.084 . . . . 10.0 110.533 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -49.23 -59.29 3.8 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 124.445 1.098 . . . . 10.0 111.192 -179.704 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.448 ' N ' HG22 ' A' ' 24' ' ' THR . 27.0 t80 -54.11 -49.46 69.07 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.749 -0.594 . . . . 10.0 110.126 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -33.71 70.46 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 118.185 -0.912 . . . . 10.0 111.399 176.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -65.57 0.66 Allowed 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 126.211 1.804 . . . . 10.0 109.797 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -30.28 40.13 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.35 0.595 . . . . 10.0 111.963 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -62.17 1.67 Allowed 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 116.158 -1.877 . . . . 10.0 111.794 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 52.7 m -46.49 -28.51 1.42 Allowed 'General case' 0 CA--C 1.535 0.394 0 O-C-N 125.335 1.647 . . . . 10.0 111.349 173.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.86 -62.0 2.2 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 123.94 0.896 . . . . 10.0 110.741 174.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -70.93 -25.0 62.56 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 118.506 -0.759 . . . . 10.0 111.81 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.417 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 23.1 t70 -54.49 -73.02 0.05 Allowed 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.962 1.305 . . . . 10.0 110.111 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.934 0 CA-C-O 118.806 -0.616 . . . . 10.0 111.57 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -30.87 4.98 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 176.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.422 ' CE2' ' O ' ' A' ' 34' ' ' CYS . 20.5 t80 -86.2 -45.07 11.66 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.332 1.053 . . . . 10.0 112.996 173.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -55.37 -28.86 56.64 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 118.957 0.799 . . . . 10.0 111.577 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -78.5 -36.93 44.3 Favored 'General case' 0 C--O 1.21 -0.985 0 C-N-CA 123.665 0.786 . . . . 10.0 110.546 174.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -70.0 -42.78 72.58 Favored 'General case' 0 C--O 1.199 -1.561 0 CA-C-N 119.83 1.195 . . . . 10.0 110.144 176.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.422 ' CE1' ' HG2' ' A' ' 27' ' ' GLU . 26.0 t80 -62.91 -52.05 64.55 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 120.884 1.674 . . . . 10.0 111.394 178.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -61.47 -52.14 65.76 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 122.322 1.058 . . . . 10.0 110.036 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.4 m -64.85 -45.03 87.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.632 0.773 . . . . 10.0 110.901 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 42.2 t -57.29 -45.36 84.2 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.454 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.7 t-80 -54.4 -39.25 67.07 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 117.856 -1.068 . . . . 10.0 110.802 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -55.22 -69.76 0.12 Allowed 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 118.05 -0.976 . . . . 10.0 111.818 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.91 -17.13 35.02 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 123.033 1.396 . . . . 10.0 112.56 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.2 t -77.28 -70.56 0.46 Allowed 'General case' 0 N--CA 1.435 -1.22 0 O-C-N 120.025 -1.672 . . . . 10.0 109.701 176.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -24.25 9.31 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 125.051 1.34 . . . . 10.0 110.942 177.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -51.7 -36.31 46.17 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.655 1.182 . . . . 10.0 111.286 171.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -13.52 5.17 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 120.836 -1.165 . . . . 10.0 112.965 175.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.81 17.71 65.08 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 126.469 1.985 . . . . 10.0 110.167 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -78.53 179.01 7.33 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 122.627 1.203 . . . . 10.0 111.745 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.5 151.04 37.46 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.85 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -57.41 -57.54 12.22 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 117.253 -1.356 . . . . 10.0 111.118 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -48.99 -59.11 3.89 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 125.309 1.631 . . . . 10.0 110.593 179.82 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.41 ' N ' HG22 ' A' ' 24' ' ' THR . 42.7 t80 -54.05 -47.11 71.95 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 122.847 0.459 . . . . 10.0 110.463 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.454 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -59.27 -36.82 76.22 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-O 118.243 -0.884 . . . . 10.0 111.669 175.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -67.4 -67.52 0.45 Allowed 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 126.298 1.839 . . . . 10.0 110.843 177.199 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mmt -47.45 -28.81 2.31 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 124.487 1.115 . . . . 10.0 112.385 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -66.58 0.86 Allowed 'General case' 0 CA--C 1.498 -1.037 0 CA-C-O 115.788 -2.053 . . . . 10.0 111.596 174.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 59.0 m -45.07 -27.63 0.6 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.155 1.382 . . . . 10.0 112.119 176.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -60.46 -62.52 1.8 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.778 1.631 . . . . 10.0 110.352 174.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -73.5 -25.3 60.37 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.457 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.06 -71.06 0.08 Allowed 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.749 1.22 . . . . 10.0 109.933 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.422 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 1.8 t . . . . . 0 N--CA 1.442 -0.851 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.656 0 N-CA-C 112.419 0.526 . . . . 10.0 112.419 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -48.08 -31.74 5.91 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.432 0.901 . . . . 10.0 113.432 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -87.71 -43.06 12.2 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 125.577 1.551 . . . . 10.0 110.686 174.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -35.44 54.66 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 120.656 1.571 . . . . 10.0 110.148 176.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.58 -38.56 62.62 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 117.731 -1.128 . . . . 10.0 110.229 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.86 -43.04 76.22 Favored 'General case' 0 C--O 1.195 -1.764 0 CA-C-O 117.608 -1.187 . . . . 10.0 109.805 175.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 27' ' ' GLU . 26.3 t80 -62.42 -52.59 62.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 120.847 1.658 . . . . 10.0 111.578 178.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -61.18 -51.99 66.72 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 122.735 1.255 . . . . 10.0 110.224 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -65.2 -45.11 86.12 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.403 -0.817 . . . . 10.0 111.005 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.3 t -56.9 -46.49 81.9 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.688 -1.227 . . . . 10.0 107.688 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -54.27 -37.66 64.95 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 119.466 1.03 . . . . 10.0 111.542 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -69.87 0.14 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 117.906 -1.045 . . . . 10.0 112.267 173.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.53 -17.7 23.49 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 122.782 1.277 . . . . 10.0 112.421 175.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.1 t -78.38 -66.8 0.81 Allowed 'General case' 0 N--CA 1.438 -1.06 0 O-C-N 119.676 -1.89 . . . . 10.0 110.246 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -23.65 20.89 Favored 'General case' 0 C--O 1.225 -0.203 0 O-C-N 120.857 -1.152 . . . . 10.0 111.103 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -52.31 -36.48 53.32 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.995 1.318 . . . . 10.0 111.758 170.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -12.06 5.77 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 121.331 -0.856 . . . . 10.0 113.291 174.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.36 18.98 67.58 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 126.538 2.018 . . . . 10.0 110.702 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -78.21 177.38 8.43 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 122.609 1.195 . . . . 10.0 111.824 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.87 147.03 34.52 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.624 174.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -52.28 -58.91 5.18 Favored 'General case' 0 C--O 1.219 -0.502 0 C-N-CA 124.445 1.098 . . . . 10.0 111.189 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.02 -58.14 6.11 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 125.45 1.5 . . . . 10.0 110.781 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.46 -47.83 69.39 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 122.816 0.446 . . . . 10.0 110.591 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.54 -37.11 74.98 Favored 'General case' 0 N--CA 1.433 -1.277 0 O-C-N 123.672 0.608 . . . . 10.0 112.009 176.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 1.2 mt-10 -67.66 -67.07 0.49 Allowed 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 125.986 1.714 . . . . 10.0 111.625 176.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.32 -28.93 3.44 Favored 'General case' 0 N--CA 1.461 0.103 0 C-N-CA 124.621 1.169 . . . . 10.0 111.995 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -80.35 -63.86 1.31 Allowed 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 114.753 -2.546 . . . . 10.0 111.931 174.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.6 m -44.74 -29.98 0.87 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.032 1.733 . . . . 10.0 112.55 175.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -57.44 -63.0 1.38 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.903 1.681 . . . . 10.0 110.727 173.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 m -74.25 -27.13 60.62 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.949 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -55.26 -66.15 0.46 Allowed 'General case' 0 C--O 1.233 0.208 0 C-N-CA 126.668 1.987 . . . . 10.0 109.524 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.45 -0.471 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.775 176.661 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 113.61 0.967 . . . . 10.0 113.61 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -49.45 -33.24 13.71 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.397 1.094 . . . . 10.0 113.217 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -87.72 -47.25 8.8 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 126.873 2.069 . . . . 10.0 111.144 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -39.61 58.49 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.375 1.443 . . . . 10.0 110.796 175.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -70.71 -42.65 70.32 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 124.89 1.276 . . . . 10.0 111.04 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -44.81 90.43 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-O 118.82 -0.61 . . . . 10.0 110.866 173.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -60.95 -54.5 44.26 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 125.459 1.503 . . . . 10.0 112.477 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.54 -50.42 73.61 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.828 1.251 . . . . 10.0 111.309 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.7 m -69.08 -42.2 76.51 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.29 1.436 . . . . 10.0 112.346 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.4 t -58.95 -44.38 91.42 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 108.728 -0.842 . . . . 10.0 108.728 169.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 17' ' ' SER . 5.8 t-80 -56.75 -31.3 64.44 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.075 -1.641 . . . . 10.0 114.304 176.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.43 -68.88 0.26 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.225 1.81 . . . . 10.0 112.197 170.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -62.13 -14.84 41.07 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 122.733 1.254 . . . . 10.0 113.795 175.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.4 t -81.27 -60.02 2.43 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 119.638 -1.914 . . . . 10.0 112.654 173.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -59.75 -24.21 63.87 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.831 -1.168 . . . . 10.0 112.251 174.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -50.15 -41.19 48.55 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 126.451 1.9 . . . . 10.0 111.977 166.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -9.03 1.07 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.856 1.428 . . . . 10.0 114.856 173.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.75 17.73 76.78 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 128.088 2.756 . . . . 10.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -77.03 170.41 16.58 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.539 1.162 . . . . 10.0 112.105 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.87 146.07 42.67 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 115.367 -0.833 . . . . 10.0 111.61 173.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -50.2 -57.88 6.8 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.523 1.529 . . . . 10.0 112.218 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 m -52.94 -55.41 23.64 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 127.34 2.256 . . . . 10.0 111.897 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -54.12 -49.36 69.35 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 122.754 0.422 . . . . 10.0 110.538 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -36.71 75.68 Favored 'General case' 0 C--O 1.205 -1.25 0 CA-C-O 117.875 -1.06 . . . . 10.0 113.492 175.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.18 -69.48 0.29 Allowed 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 126.933 2.093 . . . . 10.0 111.338 174.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -30.46 2.26 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.201 1.8 . . . . 10.0 113.209 176.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -62.83 1.54 Allowed 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 117.151 -1.404 . . . . 10.0 111.918 170.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 67.0 m -46.78 -29.05 1.74 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.689 1.996 . . . . 10.0 115.212 175.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -57.89 -65.53 0.62 Allowed 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 128.356 2.662 . . . . 10.0 110.414 169.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -72.19 -26.05 61.91 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 118.19 -0.91 . . . . 10.0 112.94 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -53.54 -69.99 0.1 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 128.268 2.627 . . . . 10.0 110.997 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.44 -0.936 0 N-CA-C 107.816 -1.179 . . . . 10.0 107.816 176.863 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.626 0 CA-C-O 118.199 -0.905 . . . . 10.0 112.34 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.16 -32.09 2.77 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 174.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.437 ' CE2' ' O ' ' A' ' 34' ' ' CYS . 32.4 t80 -88.19 -43.76 11.38 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 125.058 1.343 . . . . 10.0 112.98 173.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -55.82 -29.68 60.17 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 119.186 0.903 . . . . 10.0 111.316 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.54 -37.93 55.87 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 118.019 -0.991 . . . . 10.0 111.067 174.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -43.33 71.88 Favored 'General case' 0 C--O 1.196 -1.717 0 CA-C-N 119.581 1.082 . . . . 10.0 109.901 176.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -61.79 -51.82 66.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 120.813 1.642 . . . . 10.0 111.664 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -61.76 -52.78 62.81 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 122.972 1.368 . . . . 10.0 109.899 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.9 m -64.45 -44.5 90.91 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.902 -1.044 . . . . 10.0 110.951 -178.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.6 t -57.11 -46.89 82.26 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 107.767 -1.197 . . . . 10.0 107.767 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.476 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 4.6 t-80 -52.95 -39.53 62.98 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 119.222 0.919 . . . . 10.0 111.724 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -53.7 -65.74 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 118.04 -0.981 . . . . 10.0 112.358 174.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.62 -12.87 25.79 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 124.478 1.111 . . . . 10.0 112.539 173.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.3 t -83.07 -60.95 1.99 Allowed 'General case' 0 N--CA 1.439 -0.996 0 O-C-N 119.597 -1.939 . . . . 10.0 109.45 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -25.54 5.83 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 125.686 1.594 . . . . 10.0 111.705 174.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.78 -32.89 21.23 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.98 0.912 . . . . 10.0 112.536 170.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -11.87 7.28 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.528 0.731 . . . . 10.0 112.617 174.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.8 7.29 88.21 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 126.775 2.131 . . . . 10.0 111.043 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -73.72 179.04 4.39 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 123.475 1.607 . . . . 10.0 111.79 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.16 155.03 32.38 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 114.882 -1.054 . . . . 10.0 111.73 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.476 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 43.4 p90 -57.38 -48.47 78.97 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 117.303 -1.332 . . . . 10.0 111.054 176.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.415 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -59.3 -55.2 37.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 122.262 1.029 . . . . 10.0 110.13 -174.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -55.36 -47.44 75.76 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 121.571 -0.705 . . . . 10.0 110.353 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.63 -32.88 73.98 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-O 118.336 -0.84 . . . . 10.0 111.635 175.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -59.2 5.76 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 126.227 1.811 . . . . 10.0 108.85 177.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.4 mtt -62.52 -11.74 18.22 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 113.159 0.8 . . . . 10.0 113.159 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.32 -64.15 1.11 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 117.354 -1.308 . . . . 10.0 112.387 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.1 m -44.59 -30.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 127.021 2.128 . . . . 10.0 111.532 171.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -58.98 -62.05 2.17 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 123.642 0.777 . . . . 10.0 110.941 172.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -68.3 -27.39 66.26 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-O 118.24 -0.886 . . . . 10.0 111.614 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -54.72 -75.18 0.03 OUTLIER 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.43 1.092 . . . . 10.0 110.015 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.437 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 6.0 t . . . . . 0 N--CA 1.44 -0.962 0 N-CA-C 105.463 -2.051 . . . . 10.0 105.463 -175.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.861 -0.59 . . . . 10.0 109.824 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -54.59 -24.27 20.51 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 123.812 0.845 . . . . 10.0 111.653 178.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -90.77 -44.51 9.4 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.547 1.139 . . . . 10.0 112.043 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -59.25 -27.77 66.1 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 118.455 0.57 . . . . 10.0 111.246 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.63 -35.35 39.56 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 117.759 -1.115 . . . . 10.0 110.845 175.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.77 -41.63 64.84 Favored 'General case' 0 C--O 1.196 -1.731 0 CA-C-N 119.335 0.971 . . . . 10.0 109.602 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.415 ' CE1' ' HG2' ' A' ' 27' ' ' GLU . 24.7 t80 -63.33 -51.16 67.13 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 120.388 1.449 . . . . 10.0 111.05 178.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -63.09 -50.37 70.81 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 122.333 1.064 . . . . 10.0 110.394 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -65.75 -44.67 85.23 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.393 -0.822 . . . . 10.0 110.889 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.569 ' HG ' ' HG ' ' A' ' 30' ' ' CYS . 47.7 t -57.48 -46.37 83.77 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 107.778 -1.193 . . . . 10.0 107.778 175.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -53.81 -39.08 65.2 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 117.791 -1.099 . . . . 10.0 111.011 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.65 -70.82 0.1 Allowed 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 117.825 -1.083 . . . . 10.0 111.901 174.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.03 -17.68 27.61 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 123.711 1.72 . . . . 10.0 112.133 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.2 t -77.26 -69.14 0.55 Allowed 'General case' 0 N--CA 1.435 -1.208 0 O-C-N 119.265 -2.147 . . . . 10.0 109.953 177.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -24.66 11.56 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 124.769 1.228 . . . . 10.0 110.879 177.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.88 -38.92 57.98 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.444 1.098 . . . . 10.0 111.369 171.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -12.99 3.94 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 121.102 -0.999 . . . . 10.0 113.05 175.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.95 20.75 67.17 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 125.938 1.732 . . . . 10.0 109.877 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -76.18 178.92 6.04 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.871 1.32 . . . . 10.0 111.642 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.08 132.07 11.83 Favored Glycine 0 C--O 1.223 -0.571 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 175.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.01 -61.49 0.86 Allowed 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 125.281 1.432 . . . . 10.0 113.065 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.81 -56.69 6.87 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 125.215 1.406 . . . . 10.0 110.691 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.8 -45.77 74.39 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 123.031 0.533 . . . . 10.0 110.882 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -58.5 -37.76 76.25 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-O 118.472 -0.775 . . . . 10.0 111.739 175.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -67.49 -67.75 0.43 Allowed 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 125.339 1.456 . . . . 10.0 111.588 176.273 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.88 -29.28 1.92 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.342 1.057 . . . . 10.0 112.286 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -64.1 1.26 Allowed 'General case' 0 C--O 1.212 -0.885 0 CA-C-O 115.954 -1.974 . . . . 10.0 112.174 174.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.569 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 54.9 m -45.63 -27.9 0.88 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.135 1.374 . . . . 10.0 112.234 175.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -61.64 -61.91 2.19 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.034 1.334 . . . . 10.0 110.921 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.07 -22.01 60.67 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.469 -0.787 . . . . 10.0 111.741 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -54.34 -73.48 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.543 1.537 . . . . 10.0 109.651 178.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 N--CA 1.438 -1.031 0 N-CA-C 107.685 -1.228 . . . . 10.0 107.685 -179.706 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.499 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.29 -25.42 23.55 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.058 0.762 . . . . 10.0 113.058 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -89.94 -44.68 9.72 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 125.275 1.43 . . . . 10.0 111.188 174.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -29.98 67.89 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 119.027 0.831 . . . . 10.0 111.791 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.68 -37.77 59.26 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 117.872 -1.061 . . . . 10.0 111.161 174.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -43.31 71.04 Favored 'General case' 0 C--O 1.199 -1.589 0 CA-C-N 119.359 0.981 . . . . 10.0 109.899 176.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -61.43 -51.62 67.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 120.586 1.539 . . . . 10.0 111.72 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -62.3 -52.44 63.68 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 122.786 1.279 . . . . 10.0 110.314 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -64.21 -45.21 89.27 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.014 -0.993 . . . . 10.0 110.759 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -56.02 -47.57 77.55 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 124.544 1.138 . . . . 10.0 108.019 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.471 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 5.7 t-80 -52.71 -38.94 61.52 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 118.944 0.793 . . . . 10.0 112.06 177.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -54.28 -65.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 118.547 -0.74 . . . . 10.0 112.381 173.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -64.14 -10.56 23.57 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 122.62 1.2 . . . . 10.0 112.408 173.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 8.5 t -84.06 -60.19 2.18 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 119.247 -2.158 . . . . 10.0 110.069 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -24.89 8.84 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 125.691 1.596 . . . . 10.0 111.956 174.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -51.28 -33.72 29.77 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.636 1.175 . . . . 10.0 112.346 169.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -60.18 -11.1 5.38 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 121.422 -0.799 . . . . 10.0 113.016 174.406 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.28 7.69 88.09 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 126.499 1.999 . . . . 10.0 111.385 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -73.59 178.73 4.51 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 123.524 1.63 . . . . 10.0 111.754 175.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.37 154.35 31.35 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 114.663 -1.153 . . . . 10.0 111.707 175.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.471 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 42.3 p90 -55.86 -49.3 73.71 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-O 117.373 -1.299 . . . . 10.0 110.957 176.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -55.07 39.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.383 1.087 . . . . 10.0 110.769 -174.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -55.1 -46.69 75.55 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 121.59 -0.694 . . . . 10.0 110.6 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -33.7 76.05 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-O 117.985 -1.007 . . . . 10.0 112.197 175.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -59.8 4.85 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 125.928 1.691 . . . . 10.0 108.45 176.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.3 mtt -61.93 -10.7 10.21 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.564 0.949 . . . . 10.0 113.564 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.8 -63.17 1.18 Allowed 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 116.551 -1.69 . . . . 10.0 112.453 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 59.5 m -45.72 -28.96 1.14 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.457 2.303 . . . . 10.0 112.114 171.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -57.75 -61.65 2.37 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-O 122.624 1.202 . . . . 10.0 111.089 172.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -70.22 -27.23 64.31 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 117.669 -1.158 . . . . 10.0 111.247 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 5.6 t70 -53.45 -73.0 0.05 OUTLIER 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.489 1.116 . . . . 10.0 110.541 176.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.1 m . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 107.938 -1.134 . . . . 10.0 107.938 -177.139 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.301 0 N-CA-C 112.995 0.739 . . . . 10.0 112.995 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -47.02 -32.15 3.76 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.665 0.987 . . . . 10.0 113.665 174.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -90.97 -40.9 11.42 Favored 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 125.34 1.456 . . . . 10.0 109.212 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -35.9 59.97 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.782 1.628 . . . . 10.0 109.374 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.9 -40.86 65.19 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 123.812 0.695 . . . . 10.0 109.978 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.0 -45.29 82.08 Favored 'General case' 0 C--O 1.2 -1.526 0 O-C-N 121.743 -0.598 . . . . 10.0 110.42 176.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -60.58 -53.25 59.76 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 125.002 1.321 . . . . 10.0 112.255 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.36 -54.27 47.67 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 122.759 1.266 . . . . 10.0 110.373 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.4 m -63.28 -45.36 91.8 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 124.339 1.055 . . . . 10.0 110.743 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.51 ' HG ' ' HG ' ' A' ' 30' ' ' CYS . 46.9 t -55.75 -49.02 74.22 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.168 -1.049 . . . . 10.0 108.168 173.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -51.69 -38.17 53.86 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 119.091 0.86 . . . . 10.0 112.201 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -55.97 -68.39 0.21 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 123.727 0.811 . . . . 10.0 112.127 173.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -61.24 -14.2 24.16 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.499 1.142 . . . . 10.0 112.531 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.7 t -81.28 -66.1 0.93 Allowed 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 120.36 -1.462 . . . . 10.0 110.046 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -25.7 7.84 Favored 'General case' 0 C--O 1.224 -0.253 0 O-C-N 120.547 -1.346 . . . . 10.0 111.958 175.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -51.0 -37.52 45.59 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.999 1.32 . . . . 10.0 110.595 171.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.25 -11.9 4.68 Favored 'General case' 0 C--N 1.343 0.302 0 O-C-N 120.666 -1.271 . . . . 10.0 112.285 176.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.12 16.8 71.08 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 126.842 2.163 . . . . 10.0 111.182 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -79.4 176.91 9.26 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 122.675 1.226 . . . . 10.0 111.476 178.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.19 143.81 27.75 Favored Glycine 0 C--N 1.333 0.402 0 N-CA-C 111.013 -0.835 . . . . 10.0 111.013 174.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.427 ' CG ' ' N ' ' A' ' 24' ' ' THR . 11.5 p90 -48.41 -46.73 37.73 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 124.505 1.122 . . . . 10.0 112.071 175.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -58.1 -62.08 2.08 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 124.918 1.287 . . . . 10.0 111.773 -178.297 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.442 ' N ' HG22 ' A' ' 24' ' ' THR . 32.7 t80 -53.18 -44.51 67.96 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.549 176.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.2 -37.24 79.65 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 118.431 -0.795 . . . . 10.0 111.137 176.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.69 -66.94 0.48 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 126.194 1.798 . . . . 10.0 111.436 176.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.4 ttp -49.61 -27.35 4.45 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.937 0.895 . . . . 10.0 111.707 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.41 -63.19 1.45 Allowed 'General case' 0 C--O 1.21 -0.981 0 CA-C-O 116.384 -1.77 . . . . 10.0 111.394 174.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.51 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 44.6 m -44.1 -28.54 0.5 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.508 1.923 . . . . 10.0 111.915 176.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.1 -62.3 1.87 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 122.812 1.291 . . . . 10.0 110.065 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.38 -17.71 60.78 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.44 177.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -56.44 -68.73 0.19 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.09 1.356 . . . . 10.0 110.896 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 122.061 0.934 . . . . 10.0 110.554 179.008 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.758 0 CA-C-O 117.542 -1.218 . . . . 10.0 113.579 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -47.71 -32.66 6.03 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 114.004 1.112 . . . . 10.0 114.004 173.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -87.39 -43.31 12.2 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 125.446 1.498 . . . . 10.0 113.073 171.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -56.88 -30.1 63.58 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 120.762 1.619 . . . . 10.0 111.542 176.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -78.77 -38.42 38.65 Favored 'General case' 0 C--O 1.21 -0.979 0 C-N-CA 123.791 0.836 . . . . 10.0 110.316 174.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.25 -41.36 77.04 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-O 117.242 -1.361 . . . . 10.0 110.646 175.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.402 ' CE1' ' HG2' ' A' ' 27' ' ' GLU . 26.8 t80 -63.45 -52.01 63.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 121.29 1.859 . . . . 10.0 111.399 177.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.48 -51.38 68.92 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 122.081 0.943 . . . . 10.0 110.161 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.7 m -65.77 -44.6 85.37 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.739 0.816 . . . . 10.0 111.511 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.633 ' HG ' ' HG ' ' A' ' 30' ' ' CYS . 42.0 t -57.35 -46.87 82.88 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.405 -0.961 . . . . 10.0 108.405 174.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.457 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.6 t-80 -54.23 -37.45 64.63 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 117.548 -1.215 . . . . 10.0 111.823 176.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -56.15 -70.06 0.13 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 117.529 -1.224 . . . . 10.0 112.273 172.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.87 -17.63 25.75 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 123.738 1.732 . . . . 10.0 113.13 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.2 t -77.49 -67.06 0.76 Allowed 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 119.225 -2.172 . . . . 10.0 110.905 176.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -22.8 32.7 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-O 117.094 -1.432 . . . . 10.0 111.503 177.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -50.91 -41.26 58.42 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.952 1.301 . . . . 10.0 111.882 167.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -12.84 1.32 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 114.494 1.294 . . . . 10.0 114.494 174.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.03 20.43 67.69 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 127.024 2.25 . . . . 10.0 109.24 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -75.13 177.76 6.2 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 123.383 1.563 . . . . 10.0 112.239 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.04 131.65 12.63 Favored Glycine 0 C--O 1.224 -0.521 0 O-C-N 120.946 -1.096 . . . . 10.0 110.617 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.75 -56.95 2.04 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 126.103 1.761 . . . . 10.0 112.806 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -51.3 -58.04 7.26 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 125.913 1.685 . . . . 10.0 111.394 177.657 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.42 ' N ' HG22 ' A' ' 24' ' ' THR . 50.5 t80 -54.09 -45.2 71.75 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 123.12 0.568 . . . . 10.0 110.908 177.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -58.43 -38.48 77.55 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 118.125 -0.941 . . . . 10.0 112.842 174.39 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.402 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -66.45 -66.77 0.51 Allowed 'General case' 0 C--O 1.213 -0.856 0 CA-C-O 116.469 -1.729 . . . . 10.0 111.702 174.581 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -29.08 4.03 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.277 1.399 . . . . 10.0 113.055 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.18 -63.1 1.5 Allowed 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 113.69 -3.052 . . . . 10.0 113.051 172.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.633 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 66.3 m -46.9 -27.54 1.29 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.129 1.771 . . . . 10.0 113.174 173.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -61.06 -62.41 1.87 Allowed 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.465 1.506 . . . . 10.0 111.306 172.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -72.29 -24.05 61.28 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.013 -0.994 . . . . 10.0 112.161 177.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.436 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 20.2 t70 -55.65 -72.52 0.07 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.385 1.474 . . . . 10.0 109.578 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.443 -0.81 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.135 176.834 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.64 -0.695 . . . . 10.0 112.345 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -47.35 -33.0 5.35 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.819 1.044 . . . . 10.0 113.819 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -88.42 -42.55 12.09 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 126.3 1.84 . . . . 10.0 110.497 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -29.91 61.23 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.924 1.693 . . . . 10.0 111.654 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.12 -36.14 48.27 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 123.7 0.8 . . . . 10.0 111.063 174.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -70.33 -43.29 70.57 Favored 'General case' 0 C--O 1.196 -1.716 0 CA-C-N 119.298 0.954 . . . . 10.0 110.014 175.464 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -62.18 -51.9 65.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 120.943 1.701 . . . . 10.0 111.577 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.12 -52.6 64.21 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 122.071 0.939 . . . . 10.0 110.052 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.4 m -64.93 -45.6 85.15 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.536 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 8' ' ' CYS . 10.5 t -56.91 -45.27 82.77 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 124.414 1.086 . . . . 10.0 108.105 175.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.414 ' HA ' ' SG ' ' A' ' 30' ' ' CYS . 3.2 t-80 -53.68 -39.74 65.39 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 123.859 0.863 . . . . 10.0 111.852 174.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -64.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 119.152 0.887 . . . . 10.0 112.538 174.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -63.9 -11.83 31.43 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 122.554 1.169 . . . . 10.0 112.264 173.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.4 t -82.78 -62.21 1.66 Allowed 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 119.347 -2.095 . . . . 10.0 110.183 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.19 -25.04 8.16 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 125.152 1.381 . . . . 10.0 111.52 175.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -50.73 -36.36 36.04 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.022 0.929 . . . . 10.0 112.61 169.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -12.59 4.61 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.02 -1.05 . . . . 10.0 113.339 174.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.65 15.46 77.84 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 126.643 2.068 . . . . 10.0 110.437 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -78.12 177.97 7.92 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.625 1.202 . . . . 10.0 111.712 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.52 146.59 27.47 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.456 -0.793 . . . . 10.0 111.521 174.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.426 ' CG ' ' N ' ' A' ' 24' ' ' THR . 11.5 p90 -49.53 -47.9 48.6 Favored 'General case' 0 C--O 1.207 -1.145 0 CA-C-O 117.666 -1.159 . . . . 10.0 110.687 176.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -59.13 -59.61 5.18 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.141 0.977 . . . . 10.0 110.843 -176.185 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.427 ' N ' HG22 ' A' ' 24' ' ' THR . 47.9 t80 -54.62 -48.78 71.81 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.915 -0.491 . . . . 10.0 110.203 178.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.38 -34.17 72.09 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-O 117.964 -1.017 . . . . 10.0 111.489 175.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -66.33 0.56 Allowed 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 126.815 2.046 . . . . 10.0 109.55 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mtp -53.8 -29.95 42.78 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.031 0.443 . . . . 10.0 111.965 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -62.95 1.42 Allowed 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 116.684 -1.627 . . . . 10.0 111.352 177.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 64.0 m -45.34 -28.47 0.85 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.226 1.81 . . . . 10.0 111.325 173.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -59.65 -61.58 2.52 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.514 1.126 . . . . 10.0 111.339 173.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -72.42 -22.73 61.06 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.688 177.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -53.98 -73.11 0.05 Allowed 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.758 1.223 . . . . 10.0 109.473 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 121.615 0.721 . . . . 10.0 109.533 -176.825 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.614 0 N-CA-C 113.961 1.097 . . . . 10.0 113.961 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -48.84 -34.42 12.47 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.524 1.13 . . . . 10.0 113.532 172.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -88.23 -45.99 9.61 Favored 'General case' 0 C--O 1.213 -0.843 0 C-N-CA 127.673 2.389 . . . . 10.0 109.422 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -55.39 -32.38 62.59 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.6 1.545 . . . . 10.0 110.826 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -75.95 -37.43 58.66 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 118.037 -0.982 . . . . 10.0 111.117 175.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.28 -43.46 73.82 Favored 'General case' 0 C--O 1.199 -1.581 0 CA-C-O 117.667 -1.159 . . . . 10.0 109.911 175.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -61.83 -52.87 62.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 120.977 1.717 . . . . 10.0 111.881 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -61.16 -51.58 68.46 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 122.778 1.275 . . . . 10.0 110.593 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.4 m -65.71 -44.57 85.69 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.399 -0.819 . . . . 10.0 111.135 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -57.4 -46.44 83.46 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 108.025 -1.102 . . . . 10.0 108.025 173.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -54.12 -36.13 62.91 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 119.802 1.183 . . . . 10.0 112.436 176.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -68.95 0.22 Allowed 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 117.888 -1.053 . . . . 10.0 112.333 173.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -19.92 28.3 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 122.592 1.187 . . . . 10.0 113.287 174.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.8 t -77.29 -65.33 0.97 Allowed 'General case' 0 N--CA 1.441 -0.922 0 O-C-N 119.945 -1.722 . . . . 10.0 111.047 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -21.3 48.28 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.814 1.246 . . . . 10.0 111.677 176.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -53.51 -36.6 61.91 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.692 1.597 . . . . 10.0 111.841 168.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -11.87 3.31 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 114.091 1.145 . . . . 10.0 114.091 173.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.94 18.21 70.47 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 127.102 2.287 . . . . 10.0 111.122 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -77.1 176.87 8.29 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 123.088 1.423 . . . . 10.0 112.093 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.25 148.96 38.3 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-N 115.381 -0.827 . . . . 10.0 112.241 173.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -56.16 -56.05 25.66 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-O 117.315 -1.326 . . . . 10.0 111.821 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -57.64 8.35 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 126.167 1.787 . . . . 10.0 111.519 178.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -53.82 -47.8 70.53 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 119.169 -0.443 . . . . 10.0 110.759 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.0 -38.13 78.47 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 118.341 -0.838 . . . . 10.0 112.618 175.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -67.87 0.41 Allowed 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 126.914 2.085 . . . . 10.0 111.165 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -29.15 3.76 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.249 1.42 . . . . 10.0 112.65 178.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.8 -62.11 1.79 Allowed 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 115.267 -2.301 . . . . 10.0 113.02 172.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 58.8 m -47.65 -27.8 2.08 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.681 1.992 . . . . 10.0 113.153 173.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -61.9 -63.3 1.3 Allowed 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 126.124 1.769 . . . . 10.0 110.295 173.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.75 -23.2 61.57 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 118.438 -0.791 . . . . 10.0 112.391 177.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 12.1 t70 -55.64 -70.31 0.11 Allowed 'General case' 0 C--O 1.236 0.358 0 C-N-CA 126.501 1.92 . . . . 10.0 109.74 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 121.569 0.699 . . . . 10.0 110.378 178.724 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.774 0 CA-C-O 118.877 -0.582 . . . . 10.0 112.377 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -48.14 -31.83 6.16 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.402 0.89 . . . . 10.0 113.402 173.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -88.08 -43.16 11.89 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 124.877 1.271 . . . . 10.0 113.689 172.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -30.11 65.19 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 125.045 1.338 . . . . 10.0 111.949 175.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -77.55 -36.42 52.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 117.7 -1.143 . . . . 10.0 111.566 172.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -42.4 72.56 Favored 'General case' 0 C--O 1.194 -1.825 0 CA-C-O 117.049 -1.453 . . . . 10.0 110.473 174.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -62.64 -51.68 66.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 121.769 2.077 . . . . 10.0 111.792 177.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.46 -51.86 66.92 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.391 1.091 . . . . 10.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.2 m -66.8 -43.98 82.45 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.13 0.972 . . . . 10.0 110.992 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.549 ' HG ' ' HG ' ' A' ' 30' ' ' CYS . 45.6 t -57.25 -45.53 83.9 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 123.591 0.756 . . . . 10.0 109.106 173.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -54.38 -38.68 66.41 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 117.468 -1.253 . . . . 10.0 112.616 174.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -54.35 -65.88 0.5 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.058 -0.972 . . . . 10.0 112.492 172.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.49 -12.22 30.12 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 123.47 1.605 . . . . 10.0 113.219 174.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 t -81.99 -63.61 1.35 Allowed 'General case' 0 N--CA 1.443 -0.788 0 O-C-N 118.962 -2.336 . . . . 10.0 111.365 176.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -23.98 9.22 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 116.743 -1.599 . . . . 10.0 112.016 174.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -50.94 -36.4 38.49 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.053 1.341 . . . . 10.0 112.942 167.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -11.86 3.91 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 114.071 1.137 . . . . 10.0 114.071 173.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.24 16.05 77.21 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 126.724 2.107 . . . . 10.0 110.74 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -77.04 176.9 8.24 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 122.999 1.381 . . . . 10.0 112.346 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.87 144.26 28.63 Favored Glycine 0 C--N 1.329 0.164 0 CA-C-N 115.274 -0.876 . . . . 10.0 111.597 173.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -47.25 -48.61 24.45 Favored 'General case' 0 C--O 1.211 -0.952 0 C-N-CA 125.205 1.402 . . . . 10.0 110.573 175.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -57.32 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 124.227 1.011 . . . . 10.0 110.935 -175.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -57.7 -43.68 85.36 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.638 0.732 . . . . 10.0 111.262 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -36.05 79.91 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 117.447 -1.263 . . . . 10.0 112.761 173.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -65.85 0.63 Allowed 'General case' 0 CA--C 1.506 -0.739 0 C-N-CA 127.499 2.32 . . . . 10.0 109.437 177.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.2 ptm -51.72 -37.33 50.52 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.703 0.764 . . . . 10.0 112.174 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -71.63 -59.32 2.82 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 115.911 -1.995 . . . . 10.0 110.809 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.549 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 31.2 m -46.1 -29.36 1.49 Allowed 'General case' 0 CA--C 1.536 0.421 0 O-C-N 125.245 1.591 . . . . 10.0 113.464 170.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -60.82 -61.62 2.45 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 125.342 1.457 . . . . 10.0 111.185 172.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -71.12 -26.62 63.1 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-O 117.633 -1.175 . . . . 10.0 111.869 177.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -52.98 -76.69 0.02 OUTLIER 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.093 1.357 . . . . 10.0 109.5 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.441 -0.876 0 N-CA-C 106.429 -1.693 . . . . 10.0 106.429 -178.593 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.381 0 N-CA-C 112.011 0.374 . . . . 10.0 112.011 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.87 -32.82 6.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.507 1.123 . . . . 10.0 112.269 172.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.407 ' CE2' ' O ' ' A' ' 34' ' ' CYS . 27.3 t80 -87.36 -45.07 10.89 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.291 1.036 . . . . 10.0 111.615 175.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -56.46 -33.81 66.27 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 118.941 0.791 . . . . 10.0 110.43 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -69.5 -44.19 71.59 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.767 0.827 . . . . 10.0 110.723 173.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -45.08 90.08 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 118.025 0.375 . . . . 10.0 110.223 178.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -60.82 -54.42 45.39 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 124.806 1.242 . . . . 10.0 112.137 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -60.25 -52.9 63.33 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 122.967 1.365 . . . . 10.0 110.866 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.5 m -64.79 -43.42 93.26 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.586 1.154 . . . . 10.0 112.001 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.0 t -58.67 -45.44 89.41 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 119.114 0.87 . . . . 10.0 108.687 172.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -54.71 -34.45 62.42 Favored 'General case' 0 C--O 1.222 -0.384 0 O-C-N 120.824 -1.173 . . . . 10.0 112.791 177.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -68.6 0.23 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.954 0.902 . . . . 10.0 111.729 172.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -62.02 -14.72 38.46 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 122.268 1.033 . . . . 10.0 112.654 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.0 t -81.33 -62.23 1.72 Allowed 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 120.214 -1.554 . . . . 10.0 111.017 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -25.47 37.81 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.37 -1.456 . . . . 10.0 112.433 175.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -51.8 -38.25 54.95 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.072 1.349 . . . . 10.0 111.259 169.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -10.1 4.76 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 118.266 -0.873 . . . . 10.0 112.956 176.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.63 18.59 77.3 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 127.066 2.269 . . . . 10.0 112.223 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -76.16 173.86 10.81 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 122.437 1.113 . . . . 10.0 111.341 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.54 130.77 23.62 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.107 -1.197 . . . . 10.0 110.107 173.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -39.56 -59.02 1.18 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.703 1.601 . . . . 10.0 112.884 174.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.93 -58.03 6.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.484 1.914 . . . . 10.0 111.67 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -52.98 -47.87 67.87 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.871 -0.518 . . . . 10.0 110.188 176.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -37.33 76.8 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-O 118.311 -0.852 . . . . 10.0 111.772 176.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -68.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 126.249 1.82 . . . . 10.0 110.194 175.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -33.53 17.24 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.826 0.85 . . . . 10.0 112.684 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.79 -56.64 4.56 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-O 118.51 -0.757 . . . . 10.0 111.769 176.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.7 m -49.04 -28.37 3.99 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.49 1.516 . . . . 10.0 113.248 172.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -61.93 -61.54 2.42 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.084 1.753 . . . . 10.0 110.179 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -71.54 -26.47 62.66 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.123 -0.944 . . . . 10.0 111.438 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -55.14 -72.5 0.07 Allowed 'General case' 0 C--O 1.235 0.332 0 C-N-CA 125.514 1.525 . . . . 10.0 111.1 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.407 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 3.2 t . . . . . 0 N--CA 1.44 -0.959 0 N-CA-C 107.522 -1.288 . . . . 10.0 107.522 177.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.272 0 N-CA-C 112.779 0.659 . . . . 10.0 112.779 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -33.17 12.91 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.922 0.868 . . . . 10.0 112.52 175.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -87.4 -39.89 14.88 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 124.86 1.264 . . . . 10.0 111.063 176.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -33.06 62.37 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.006 1.323 . . . . 10.0 110.954 177.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -71.25 -43.11 67.9 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 118.573 -0.727 . . . . 10.0 111.03 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.46 -44.28 87.72 Favored 'General case' 0 C--O 1.198 -1.608 0 CA-C-O 118.475 -0.774 . . . . 10.0 109.956 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -61.5 -52.8 62.99 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 125.506 1.522 . . . . 10.0 111.781 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.49 -50.79 71.3 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 122.577 1.18 . . . . 10.0 111.157 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.2 m -66.69 -43.89 83.21 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.998 1.319 . . . . 10.0 111.452 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 t -58.05 -47.65 82.48 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 107.798 -1.186 . . . . 10.0 107.798 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -53.37 -36.18 61.11 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 119.901 1.228 . . . . 10.0 112.519 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -69.61 0.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.21 -0.9 . . . . 10.0 112.254 172.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -58.71 -18.29 30.07 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 122.286 1.041 . . . . 10.0 112.382 174.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.7 t -79.14 -63.02 1.51 Allowed 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 119.419 -2.05 . . . . 10.0 110.545 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -23.87 33.06 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 120.352 -1.467 . . . . 10.0 112.115 175.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.4 -36.79 45.15 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.139 1.376 . . . . 10.0 111.482 169.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -10.88 4.96 Favored 'General case' 0 C--N 1.344 0.353 0 N-CA-C 112.989 0.737 . . . . 10.0 112.989 175.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.85 16.87 76.27 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 126.282 1.896 . . . . 10.0 111.519 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -78.27 175.64 10.02 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.709 1.242 . . . . 10.0 111.716 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.97 148.56 38.16 Favored Glycine 0 CA--C 1.521 0.464 0 CA-C-N 115.233 -0.894 . . . . 10.0 112.003 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -55.37 -57.24 12.67 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 124.917 1.287 . . . . 10.0 112.087 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.03 -57.15 8.21 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 125.774 1.63 . . . . 10.0 111.567 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -53.99 -49.24 69.27 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 122.741 0.416 . . . . 10.0 110.381 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -35.28 73.33 Favored 'General case' 0 C--O 1.204 -1.298 0 CA-C-O 118.552 -0.737 . . . . 10.0 112.045 176.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.85 -66.16 0.6 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 126.405 1.882 . . . . 10.0 111.318 177.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.34 -27.97 4.47 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.996 1.318 . . . . 10.0 112.188 176.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.65 -59.57 2.47 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 116.659 -1.639 . . . . 10.0 112.25 174.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 46.0 m -46.18 -28.66 1.3 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 126.48 1.912 . . . . 10.0 112.744 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -61.16 -64.57 0.91 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.003 1.321 . . . . 10.0 109.486 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -19.55 62.55 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 120.772 -1.205 . . . . 10.0 112.928 177.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -55.97 -72.81 0.07 Allowed 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 126.687 1.995 . . . . 10.0 109.112 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.441 -0.902 0 O-C-N 124.418 1.074 . . . . 10.0 108.858 -177.842 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.485 0 CA-C-O 119.202 -0.428 . . . . 10.0 110.099 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -26.54 22.22 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 122.256 1.027 . . . . 10.0 112.137 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -86.28 -45.92 10.81 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 124.568 1.147 . . . . 10.0 112.491 174.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -30.63 65.36 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 118.365 0.529 . . . . 10.0 111.379 176.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -77.81 -34.71 51.98 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 118.115 -0.945 . . . . 10.0 111.794 174.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -72.0 -42.41 66.45 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-O 118.198 -0.906 . . . . 10.0 110.305 175.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -62.5 -52.02 65.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 120.091 1.314 . . . . 10.0 111.634 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -61.93 -50.84 70.56 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.061 0.934 . . . . 10.0 110.568 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.3 m -65.43 -46.0 81.65 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.41 -0.814 . . . . 10.0 110.837 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.32 -46.66 79.77 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 108.244 -1.021 . . . . 10.0 108.244 174.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -53.17 -38.29 62.66 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 119.186 0.903 . . . . 10.0 112.015 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -56.92 -69.27 0.16 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 117.927 -1.035 . . . . 10.0 112.114 174.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.27 -17.14 26.07 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 122.913 1.339 . . . . 10.0 112.777 174.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.8 t -78.13 -67.8 0.7 Allowed 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 119.642 -1.911 . . . . 10.0 110.601 176.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -23.55 18.82 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.048 -1.033 . . . . 10.0 111.205 176.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -52.33 -36.03 52.31 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.073 1.349 . . . . 10.0 111.737 170.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -12.06 5.92 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 113.376 0.88 . . . . 10.0 113.376 174.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.78 18.57 67.63 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.903 1.715 . . . . 10.0 110.661 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -77.75 177.65 7.98 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 122.891 1.329 . . . . 10.0 111.958 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.2 149.78 36.22 Favored Glycine 0 C--N 1.331 0.292 0 CA-C-N 115.309 -0.859 . . . . 10.0 112.065 173.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -54.27 -57.7 10.2 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 124.619 1.168 . . . . 10.0 111.038 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.99 -57.94 7.31 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 124.991 1.316 . . . . 10.0 111.244 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -53.68 -47.6 70.27 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 119.454 -0.308 . . . . 10.0 110.565 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.72 -36.54 74.44 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 118.469 -0.777 . . . . 10.0 112.431 175.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -68.75 0.35 Allowed 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 125.909 1.684 . . . . 10.0 110.826 176.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.2 mtt -47.99 -29.64 3.62 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.487 1.04 . . . . 10.0 112.469 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -64.37 1.18 Allowed 'General case' 0 C--O 1.214 -0.789 0 CA-C-O 115.468 -2.206 . . . . 10.0 112.264 174.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 65.4 m -47.26 -29.4 2.41 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.621 1.568 . . . . 10.0 112.654 174.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -61.15 -62.25 1.98 Allowed 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 125.187 1.395 . . . . 10.0 110.694 174.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -70.58 -25.14 62.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.614 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 22.4 t70 -54.44 -73.5 0.05 OUTLIER 'General case' 0 C--O 1.233 0.203 0 C-N-CA 125.663 1.585 . . . . 10.0 109.565 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.444 -0.735 0 N-CA-C 108.019 -1.104 . . . . 10.0 108.019 179.044 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 119.639 -0.22 . . . . 10.0 110.528 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -53.04 -29.22 28.54 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.221 1.408 . . . . 10.0 113.328 175.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -79.93 -50.9 9.78 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 125.334 1.454 . . . . 10.0 113.075 170.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -57.86 -31.7 66.95 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.382 0.673 . . . . 10.0 111.944 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -73.0 -41.03 64.71 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 124.383 1.073 . . . . 10.0 112.766 170.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 t -65.32 -44.83 86.6 Favored 'General case' 0 C--O 1.206 -1.184 0 CA-C-N 118.67 0.668 . . . . 10.0 110.684 174.434 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -60.53 -54.41 45.84 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.766 1.226 . . . . 10.0 112.688 177.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -61.06 -51.56 68.67 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 122.084 0.945 . . . . 10.0 110.892 -179.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -66.5 -41.6 88.63 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.676 1.19 . . . . 10.0 112.495 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.5 t -60.26 -43.83 95.81 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.882 -0.784 . . . . 10.0 108.882 170.363 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -56.73 -31.27 64.38 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.102 -1.624 . . . . 10.0 114.129 175.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -60.97 -69.17 0.25 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.592 1.157 . . . . 10.0 111.483 170.343 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -60.39 -16.6 37.21 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 122.403 1.097 . . . . 10.0 113.346 175.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.8 t -79.81 -60.14 2.46 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 119.535 -1.978 . . . . 10.0 112.674 174.071 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -23.95 65.54 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.958 -1.089 . . . . 10.0 111.868 175.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -50.61 -40.15 52.02 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.666 1.986 . . . . 10.0 112.166 166.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -8.34 1.22 Allowed 'General case' 0 C--N 1.346 0.414 0 N-CA-C 114.589 1.329 . . . . 10.0 114.589 173.424 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.46 17.6 75.57 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 127.466 2.46 . . . . 10.0 112.711 -179.601 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -76.94 172.01 13.85 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 122.888 1.328 . . . . 10.0 112.425 177.301 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.62 148.37 40.12 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 115.114 -0.948 . . . . 10.0 111.832 174.138 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.91 -56.11 18.32 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.279 1.431 . . . . 10.0 112.469 178.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -53.69 -54.73 33.83 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.128 2.171 . . . . 10.0 112.242 178.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -54.07 -49.68 68.48 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 122.535 0.334 . . . . 10.0 110.538 174.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.56 -35.31 75.74 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 113.453 0.909 . . . . 10.0 113.453 175.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.28 -68.37 0.36 Allowed 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 125.731 1.613 . . . . 10.0 109.973 174.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -27.93 6.83 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.609 1.564 . . . . 10.0 112.758 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -79.91 -57.73 3.5 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 117.784 -1.103 . . . . 10.0 113.624 173.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.8 m -52.41 -29.41 24.15 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.816 2.046 . . . . 10.0 114.836 171.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -59.68 -66.08 0.57 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 128.442 2.697 . . . . 10.0 109.903 171.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 m -68.72 -25.76 64.92 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 118.086 -0.959 . . . . 10.0 112.201 178.326 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -56.22 -74.71 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.872 1.669 . . . . 10.0 110.029 176.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.444 -0.759 0 CA-C-N 114.899 -1.046 . . . . 10.0 108.314 -178.363 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 121.562 0.696 . . . . 10.0 112.012 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -48.7 -31.5 6.94 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.446 1.276 . . . . 10.0 114.446 175.662 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -88.45 -43.02 11.76 Favored 'General case' 0 C--O 1.212 -0.908 0 C-N-CA 126.78 2.032 . . . . 10.0 110.654 173.171 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -56.54 -33.5 66.15 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 120.674 1.579 . . . . 10.0 111.066 177.242 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.26 -38.81 63.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 123.236 0.614 . . . . 10.0 112.232 174.007 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.7 -43.84 83.32 Favored 'General case' 0 C--O 1.205 -1.25 0 O-C-N 123.992 0.808 . . . . 10.0 111.164 174.337 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -62.1 -52.55 63.43 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.321 0.648 . . . . 10.0 111.989 178.363 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.57 -52.0 66.23 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.251 1.024 . . . . 10.0 110.215 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.5 m -64.64 -45.29 87.44 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.931 0.892 . . . . 10.0 111.925 -179.5 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.4 t -56.99 -48.16 79.11 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 108.194 -1.039 . . . . 10.0 108.194 173.036 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -52.46 -33.18 43.22 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.745 -1.222 . . . . 10.0 113.658 176.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -60.82 -68.81 0.27 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.646 1.216 . . . . 10.0 111.77 173.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -19.48 44.45 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 123.205 1.479 . . . . 10.0 113.278 174.604 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.0 t -77.49 -61.94 1.82 Allowed 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 119.621 -1.925 . . . . 10.0 112.552 175.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -21.27 61.27 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.308 -0.86 . . . . 10.0 112.188 176.527 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -53.7 -38.37 64.18 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.926 1.291 . . . . 10.0 111.97 168.357 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -7.9 2.51 Favored 'General case' 0 C--O 1.243 0.737 0 N-CA-C 114.18 1.178 . . . . 10.0 114.18 174.364 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.5 20.65 76.53 Favored Glycine 0 C--N 1.344 0.983 0 C-N-CA 126.128 1.823 . . . . 10.0 110.947 179.2 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -76.56 175.09 9.6 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 123.603 1.668 . . . . 10.0 111.307 177.856 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.62 131.37 18.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.077 -1.015 . . . . 10.0 110.717 173.437 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.37 -58.03 1.63 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.246 1.818 . . . . 10.0 112.901 176.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.74 -59.43 3.82 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 126.874 2.07 . . . . 10.0 111.198 176.503 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -52.8 -46.2 67.56 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 122.638 0.375 . . . . 10.0 110.605 177.531 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -36.21 76.63 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-O 118.045 -0.979 . . . . 10.0 113.154 175.158 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -68.3 0.38 Allowed 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.591 1.156 . . . . 10.0 110.541 174.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.4 ttp -47.01 -29.78 2.28 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.408 1.483 . . . . 10.0 111.799 179.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.89 -60.74 2.23 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-O 117.015 -1.469 . . . . 10.0 112.453 174.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.1 m -47.45 -27.58 1.78 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.737 1.615 . . . . 10.0 113.72 173.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -62.06 -63.17 1.33 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 126.244 1.818 . . . . 10.0 111.002 172.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -72.55 -21.76 61.11 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.232 -0.917 . . . . 10.0 111.604 177.214 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -56.01 -70.6 0.11 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.96 1.704 . . . . 10.0 109.991 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 123.303 1.525 . . . . 10.0 112.653 179.486 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.618 0 CA-C-O 119.27 -0.395 . . . . 10.0 110.941 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.44 -29.2 3.84 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.221 1.008 . . . . 10.0 111.708 176.497 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -86.44 -44.19 12.2 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 124.081 0.953 . . . . 10.0 111.175 175.519 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -56.96 -27.33 61.12 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 118.919 0.781 . . . . 10.0 111.579 175.709 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.97 -33.1 30.38 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 109.929 -0.397 . . . . 10.0 109.929 177.151 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 0.7 OUTLIER -73.35 -42.92 61.67 Favored 'General case' 0 C--O 1.195 -1.78 0 CA-C-O 117.948 -1.025 . . . . 10.0 109.108 176.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -62.86 -51.75 65.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 120.593 1.542 . . . . 10.0 110.998 178.524 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -61.53 -51.97 66.39 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 122.293 1.044 . . . . 10.0 109.823 -179.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.4 m -64.1 -46.29 84.9 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.621 -178.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.536 ' HG ' ' HG ' ' A' ' 30' ' ' CYS . 34.9 t -56.41 -45.83 80.47 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 107.936 -1.135 . . . . 10.0 107.936 176.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.504 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.7 t-80 -53.56 -40.67 65.77 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-O 118.102 -0.951 . . . . 10.0 110.243 177.683 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -54.1 -69.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 119.258 0.936 . . . . 10.0 111.312 176.086 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -16.32 22.3 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 122.848 1.309 . . . . 10.0 112.074 176.087 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.8 t -78.7 -68.39 0.65 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.719 -1.863 . . . . 10.0 109.308 178.23 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.43 -26.2 4.77 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.317 1.447 . . . . 10.0 110.168 177.891 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.62 -36.68 46.87 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 124.04 0.936 . . . . 10.0 112.093 172.083 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -14.16 9.78 Favored 'General case' 0 N--CA 1.444 -0.728 0 O-C-N 121.108 -0.995 . . . . 10.0 112.152 174.892 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.85 19.45 72.96 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 125.843 1.687 . . . . 10.0 109.782 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -75.82 -179.58 4.89 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 122.363 1.078 . . . . 10.0 111.674 177.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.37 130.28 9.96 Favored Glycine 0 C--O 1.223 -0.554 0 N-CA-C 110.656 -0.978 . . . . 10.0 110.656 176.089 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -39.47 -60.01 1.01 Allowed 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 124.93 1.292 . . . . 10.0 112.213 178.067 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -47.99 -58.7 4.09 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 124.988 1.43 . . . . 10.0 110.702 179.102 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.436 ' N ' HG22 ' A' ' 24' ' ' THR . 56.2 t80 -53.55 -47.58 69.9 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 122.813 0.445 . . . . 10.0 110.646 178.454 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.504 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -57.49 -36.68 71.83 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-O 118.907 -0.568 . . . . 10.0 110.933 175.819 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -66.6 0.53 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.031 1.332 . . . . 10.0 110.742 177.283 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 mtt -50.64 -36.5 35.69 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.419 0.628 . . . . 10.0 111.353 179.324 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -70.09 -63.94 0.99 Allowed 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 115.971 -1.966 . . . . 10.0 110.448 177.69 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.536 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 56.3 m -45.75 -27.13 0.76 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.949 1.406 . . . . 10.0 111.301 175.72 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -60.7 -61.31 2.68 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 122.147 0.975 . . . . 10.0 111.093 174.404 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -73.08 -21.94 60.68 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.782 -0.644 . . . . 10.0 111.413 177.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -53.09 -73.96 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.271 1.028 . . . . 10.0 108.929 177.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.44 -0.928 0 N-CA-C 106.942 -1.503 . . . . 10.0 106.942 -176.087 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.848 0 CA-C-O 118.174 -0.917 . . . . 10.0 112.737 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.49 -28.53 13.67 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.725 2.01 . . . . 10.0 115.586 172.353 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -88.84 -45.33 9.83 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 125.258 1.423 . . . . 10.0 110.779 170.313 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.31 -35.2 69.55 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.602 1.561 . . . . 10.0 112.615 178.425 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.68 -44.18 78.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.328 1.018 . . . . 10.0 111.507 171.473 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -46.46 76.62 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 125.1 1.5 . . . . 10.0 108.216 -178.539 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -59.11 -54.91 41.7 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 114.243 1.201 . . . . 10.0 114.243 174.218 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.81 -52.21 66.68 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 122.26 1.029 . . . . 10.0 111.731 178.179 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.8 m -67.0 -43.68 82.3 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.967 1.707 . . . . 10.0 113.701 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.7 t -58.98 -42.42 89.96 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 167.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -58.09 -35.33 71.27 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 119.849 -1.782 . . . . 10.0 115.347 172.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -59.08 -65.61 0.64 Allowed 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 116.953 -1.499 . . . . 10.0 112.003 168.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.93 -27.56 65.41 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 122.853 1.311 . . . . 10.0 114.432 176.047 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.6 t -75.37 -55.69 5.45 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 119.736 -1.852 . . . . 10.0 112.806 179.306 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -24.2 64.68 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.07 -1.423 . . . . 10.0 113.141 174.2 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -53.9 -41.62 67.81 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 127.304 2.242 . . . . 10.0 111.755 168.219 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -7.71 1.92 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.418 1.266 . . . . 10.0 114.418 173.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.65 16.44 61.81 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 127.847 2.641 . . . . 10.0 113.237 178.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.435 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 5.3 m-20 -72.66 173.61 8.76 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-O 122.668 1.223 . . . . 10.0 111.784 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.97 125.69 9.16 Favored Glycine 0 CA--C 1.539 1.58 0 O-C-N 120.76 -1.212 . . . . 10.0 110.613 174.699 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -38.28 -62.66 0.56 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 126.267 1.827 . . . . 10.0 113.46 177.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -51.41 -55.06 20.7 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 126.738 2.015 . . . . 10.0 114.115 175.115 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -54.67 -45.4 73.87 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.815 0.846 . . . . 10.0 111.861 176.668 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 21' ' ' ASN . 0.7 OUTLIER -59.84 -41.36 91.22 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 124.46 1.104 . . . . 10.0 112.166 173.647 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.2 -61.94 2.26 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.185 0.994 . . . . 10.0 110.758 174.356 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.62 -28.24 8.41 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.74 1.616 . . . . 10.0 113.706 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -82.29 -56.49 3.88 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 116.926 -1.511 . . . . 10.0 113.037 172.68 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 99.6 m -46.82 -27.99 1.41 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 129.168 2.987 . . . . 10.0 115.893 171.033 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.72 -65.67 0.65 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.431 2.692 . . . . 10.0 111.361 169.337 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -73.14 -13.9 61.27 Favored 'General case' 0 CA--C 1.562 1.436 0 N-CA-C 113.81 1.041 . . . . 10.0 113.81 174.043 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.94 -67.79 0.39 Allowed 'General case' 0 N--CA 1.474 0.725 0 O-C-N 120.09 -1.631 . . . . 10.0 111.132 177.546 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--O 1.252 1.204 0 C-N-CA 125.359 1.464 . . . . 10.0 113.636 178.784 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -49.55 -29.44 6.92 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 122.665 1.221 . . . . 10.0 112.0 178.085 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -83.57 -48.21 10.48 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 125.176 1.39 . . . . 10.0 111.121 177.442 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -30.37 62.25 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 117.941 0.337 . . . . 10.0 110.631 177.667 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -77.92 -36.58 49.29 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.758 -1.115 . . . . 10.0 111.43 177.21 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -44.1 73.73 Favored 'General case' 0 C--O 1.201 -1.488 0 O-C-N 124.585 1.178 . . . . 10.0 110.986 174.202 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.424 ' CE1' ' HG2' ' A' ' 27' ' ' GLU . 25.9 t80 -61.92 -52.46 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 119.378 0.99 . . . . 10.0 112.224 177.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.29 -51.87 67.71 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 122.135 0.969 . . . . 10.0 110.022 179.604 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -66.21 -46.47 77.12 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.255 -0.884 . . . . 10.0 111.05 -178.06 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.3 t -54.89 -44.8 74.43 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 173.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.442 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.5 t-80 -55.9 -39.96 72.33 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 121.027 -1.046 . . . . 10.0 112.509 175.889 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -56.81 -68.93 0.18 Allowed 'General case' 0 C--O 1.212 -0.921 0 CA-C-O 116.148 -1.882 . . . . 10.0 110.422 173.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.45 -27.12 55.87 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 123.061 1.41 . . . . 10.0 113.468 176.789 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.32 -70.45 0.32 Allowed 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 120.176 -1.578 . . . . 10.0 109.361 178.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -24.65 63.06 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 121.568 -0.708 . . . . 10.0 111.354 177.588 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.87 -37.76 74.5 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.363 1.465 . . . . 10.0 110.881 173.354 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -62.36 -10.1 10.23 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 112.631 0.604 . . . . 10.0 112.631 174.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.4 21.56 29.19 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 126.041 1.781 . . . . 10.0 110.969 177.415 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.462 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -78.34 177.59 8.33 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 123.678 1.704 . . . . 10.0 110.03 -178.202 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.7 128.99 8.78 Favored Glycine 0 C--O 1.223 -0.578 0 O-C-N 120.579 -1.326 . . . . 10.0 110.069 176.121 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -39.09 -62.39 0.65 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.661 1.184 . . . . 10.0 112.051 177.019 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.42 -58.99 5.18 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.201 1.0 . . . . 10.0 111.199 -178.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -52.9 -40.35 63.47 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.934 -0.576 . . . . 10.0 112.109 177.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -60.92 -38.89 87.34 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 124.465 1.106 . . . . 10.0 110.864 176.412 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 0.7 OUTLIER -62.26 -65.56 0.67 Allowed 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 117.47 -1.252 . . . . 10.0 110.811 173.357 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.52 -25.65 2.86 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.514 1.149 . . . . 10.0 112.875 -179.481 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -83.16 -63.7 1.31 Allowed 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 116.675 -1.631 . . . . 10.0 112.372 175.166 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 61.0 m -46.47 -28.7 1.47 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.995 1.718 . . . . 10.0 112.462 174.265 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.2 -64.24 1.02 Allowed 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 125.645 1.578 . . . . 10.0 109.521 173.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -69.46 -25.49 64.11 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 123.568 0.542 . . . . 10.0 112.199 178.491 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -55.14 -73.17 0.06 Allowed 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.63 1.172 . . . . 10.0 109.597 177.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.445 -0.688 0 N-CA-C 107.827 -1.175 . . . . 10.0 107.827 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.509 -0.618 0 N-CA-C 107.34 -1.356 . . . . 10.0 107.34 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 170.96 -28.5 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 125.934 1.694 . . . . 10.0 109.994 176.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.67 81.62 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 123.391 0.676 . . . . 10.0 111.945 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -46.61 -33.0 3.83 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.804 1.039 . . . . 10.0 113.804 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -87.08 -44.82 11.26 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 125.578 1.551 . . . . 10.0 109.804 174.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -54.79 -28.74 51.27 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.905 1.684 . . . . 10.0 111.622 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.5 -40.08 51.2 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 123.026 0.53 . . . . 10.0 110.845 174.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.0 -43.42 78.91 Favored 'General case' 0 C--O 1.196 -1.73 0 O-C-N 121.235 -0.916 . . . . 10.0 109.73 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -61.74 -52.53 63.86 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 120.839 1.654 . . . . 10.0 112.294 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -61.23 -53.23 59.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.813 1.292 . . . . 10.0 110.447 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -64.53 -44.13 91.81 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 124.087 0.955 . . . . 10.0 110.914 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -55.85 -46.47 78.19 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 108.288 -1.004 . . . . 10.0 108.288 173.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -54.6 -39.46 67.9 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 119.79 1.177 . . . . 10.0 112.368 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -61.11 2.64 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 123.519 0.728 . . . . 10.0 111.87 173.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -66.61 -10.01 41.35 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.791 1.282 . . . . 10.0 112.168 173.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.2 t -83.55 -62.57 1.55 Allowed 'General case' 0 N--CA 1.437 -1.097 0 O-C-N 118.903 -2.373 . . . . 10.0 108.551 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -26.63 9.36 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 124.273 1.029 . . . . 10.0 111.695 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.02 -37.34 44.61 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.693 1.197 . . . . 10.0 112.455 170.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -12.96 4.93 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.289 -0.882 . . . . 10.0 112.828 174.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.05 7.77 87.41 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 127.188 2.328 . . . . 10.0 111.767 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -69.91 177.73 3.0 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 123.111 1.434 . . . . 10.0 111.769 174.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.66 156.98 35.52 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.87 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.38 -56.68 18.99 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 123.764 0.826 . . . . 10.0 111.543 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.09 -58.14 6.87 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.903 1.281 . . . . 10.0 111.22 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -56.24 -38.35 70.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 121.535 -0.728 . . . . 10.0 110.681 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -61.67 -37.65 84.86 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 117.634 -1.174 . . . . 10.0 111.618 174.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -65.53 0.67 Allowed 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 125.903 1.681 . . . . 10.0 111.125 175.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -25.1 6.43 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.624 0.77 . . . . 10.0 112.601 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.87 -63.87 1.26 Allowed 'General case' 0 C--O 1.205 -1.274 0 CA-C-O 115.557 -2.163 . . . . 10.0 112.296 174.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.9 m -44.7 -29.02 0.69 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.576 1.95 . . . . 10.0 112.673 173.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -61.27 -63.24 1.35 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.11 1.364 . . . . 10.0 110.812 173.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -72.68 -17.94 61.59 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 118.25 -0.881 . . . . 10.0 111.625 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -58.06 -69.46 0.18 Allowed 'General case' 0 C--O 1.233 0.225 0 C-N-CA 125.587 1.555 . . . . 10.0 109.647 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 96.6 m -81.02 58.04 3.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.75 0.786 . . . . 10.0 109.579 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.69 147.4 0.49 Allowed 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 124.189 1.947 . . . . 10.0 110.077 -177.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.609 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.5 t -79.14 -178.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 O-C-N 118.934 -2.354 . . . . 10.0 109.555 176.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.609 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -173.46 -153.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.37 1.068 . . . . 10.0 109.96 178.071 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -136.72 120.56 17.46 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.662 1.185 . . . . 10.0 109.401 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.5 t -149.12 87.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 105.655 -1.98 . . . . 10.0 105.655 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -47.88 149.06 1.41 Allowed 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.328 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.79 167.16 0.59 Allowed 'General case' 0 C--O 1.238 0.463 0 CA-C-O 122.346 1.07 . . . . 10.0 111.025 -178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -105.9 86.99 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.753 -1.573 . . . . 10.0 106.753 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.87 154.55 0.7 Allowed 'General case' 0 C--O 1.234 0.247 0 O-C-N 124.167 0.917 . . . . 10.0 110.288 174.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.13 178.83 9.76 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.815 -0.63 . . . . 10.0 109.349 -178.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 172.9 162.79 0.12 Allowed 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.109 1.364 . . . . 10.0 110.243 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -151.35 174.31 13.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.318 -0.855 . . . . 10.0 109.551 -174.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.63 77.04 46.98 Favored Pre-proline 0 C--O 1.232 0.178 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.901 177.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -66.23 137.03 46.2 Favored 'Trans proline' 0 N--CA 1.449 -1.116 0 C-N-CA 121.67 1.58 . . . . 10.0 108.052 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.98 164.33 0.11 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.114 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 p30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 114.682 -2.58 . . . . 10.0 113.562 175.587 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 . . . . . 0 CA--C 1.508 -0.655 0 N-CA-C 106.651 -1.611 . . . . 10.0 106.651 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.28 -26.29 1.93 Allowed 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.815 -1.178 . . . . 10.0 112.52 176.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.78 -48.73 66.65 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.765 1.226 . . . . 10.0 114.287 172.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -46.81 -33.33 4.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.29 1.036 . . . . 10.0 112.369 174.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -92.4 -39.69 11.3 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 126.35 1.86 . . . . 10.0 110.451 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -53.19 -33.65 53.59 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 125.199 1.4 . . . . 10.0 110.449 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.8 -43.54 65.48 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 123.116 0.566 . . . . 10.0 111.073 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -44.01 91.89 Favored 'General case' 0 C--O 1.198 -1.614 0 CA-C-O 118.431 -0.795 . . . . 10.0 110.53 176.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -61.43 -52.45 64.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 120.444 1.474 . . . . 10.0 112.316 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -61.55 -53.54 55.04 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.995 0.918 . . . . 10.0 110.081 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.3 m -63.98 -43.81 94.59 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.965 1.306 . . . . 10.0 111.033 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.0 -48.22 78.99 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 107.978 -1.119 . . . . 10.0 107.978 173.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 16' ' ' CYS . 10.3 t-80 -52.97 -37.62 61.38 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 119.613 1.097 . . . . 10.0 112.763 177.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -56.19 -64.34 0.89 Allowed 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 124.282 1.033 . . . . 10.0 111.691 173.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -66.21 -8.71 26.09 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 122.434 1.111 . . . . 10.0 112.736 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . 23.6 t -85.59 -60.0 2.15 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 119.623 -1.923 . . . . 10.0 109.598 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -25.12 10.87 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.658 1.183 . . . . 10.0 112.188 173.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.98 -36.51 49.89 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.63 1.172 . . . . 10.0 111.984 170.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -11.45 4.6 Favored 'General case' 0 C--N 1.342 0.258 0 O-C-N 120.997 -1.064 . . . . 10.0 113.355 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.37 7.72 87.98 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 127.262 2.363 . . . . 10.0 111.764 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -72.48 177.05 4.87 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 123.737 1.732 . . . . 10.0 111.717 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.46 149.81 23.98 Favored Glycine 0 C--N 1.333 0.373 0 CA-C-N 114.893 -1.049 . . . . 10.0 111.389 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -51.88 -43.64 63.38 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 117.943 -1.027 . . . . 10.0 112.276 177.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -60.31 -60.33 3.99 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.724 1.61 . . . . 10.0 110.627 -176.146 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.405 ' N ' HG22 ' A' ' 24' ' ' THR . 39.9 t80 -56.21 -39.48 72.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 121.868 -0.52 . . . . 10.0 110.404 175.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -33.68 76.02 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-O 117.822 -1.085 . . . . 10.0 111.775 175.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.07 -63.11 1.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 125.001 1.32 . . . . 10.0 109.666 177.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.8 ttm -55.76 -21.65 20.1 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.226 0.61 . . . . 10.0 112.488 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -86.76 -62.94 1.39 Allowed 'General case' 0 C--O 1.209 -1.029 0 CA-C-O 115.77 -2.062 . . . . 10.0 111.62 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 55.9 m -45.44 -29.73 1.19 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 127.707 2.403 . . . . 10.0 112.545 173.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -59.03 -66.18 0.55 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.441 1.096 . . . . 10.0 109.638 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -72.49 -14.8 61.75 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.256 -0.903 . . . . 10.0 112.731 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 4.6 t70 -60.34 -71.88 0.12 Allowed 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 126.039 1.736 . . . . 10.0 108.718 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.2 m -70.57 -21.58 62.68 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.692 -0.485 . . . . 10.0 109.692 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.8 t -105.22 71.34 0.93 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.601 1.16 . . . . 10.0 110.993 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.657 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.6 t -71.98 -178.08 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 122.269 1.033 . . . . 10.0 108.922 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.657 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -137.7 123.67 20.2 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 120.98 -1.075 . . . . 10.0 109.936 179.53 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.28 138.42 58.24 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 124.507 1.13 . . . . 10.0 109.421 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.9 t -136.2 68.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 105.895 -1.891 . . . . 10.0 105.895 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -46.05 139.13 4.65 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.599 173.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.18 162.05 1.13 Allowed 'General case' 0 C--O 1.242 0.689 0 O-C-N 124.336 1.023 . . . . 10.0 111.29 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -81.44 87.26 6.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.125 -1.065 . . . . 10.0 108.125 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.98 157.9 0.37 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 124.034 0.834 . . . . 10.0 110.756 174.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -117.12 163.24 16.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.613 1.197 . . . . 10.0 110.216 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -131.79 168.08 18.43 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.463 -1.244 . . . . 10.0 110.104 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -130.08 162.54 28.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 114.792 -1.095 . . . . 10.0 110.63 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.04 81.01 6.38 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.874 176.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -66.61 138.47 49.76 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.057 1.838 . . . . 10.0 109.327 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.77 -66.91 0.31 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 117.353 -1.308 . . . . 10.0 111.595 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 . . . . . 0 C--O 1.246 0.898 0 O-C-N 126.405 2.316 . . . . 10.0 109.735 174.403 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.51 -0.594 0 N-CA-C 107.09 -1.448 . . . . 10.0 107.09 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.72 -28.11 67.06 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 120.626 -0.429 . . . . 10.0 111.68 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.11 -48.77 75.54 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -32.1 2.37 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.959 0.885 . . . . 10.0 113.087 175.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -89.76 -42.57 11.22 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 125.199 1.4 . . . . 10.0 109.526 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -30.32 65.52 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.423 1.011 . . . . 10.0 110.959 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -75.8 -38.3 58.36 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 123.346 0.658 . . . . 10.0 112.081 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -44.27 76.66 Favored 'General case' 0 C--O 1.205 -1.278 0 C-N-CA 120.143 -0.623 . . . . 10.0 111.204 175.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -60.85 -52.09 66.53 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 123.758 0.823 . . . . 10.0 112.441 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -60.97 -53.47 56.86 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 122.275 1.036 . . . . 10.0 110.351 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.0 m -64.58 -45.12 88.39 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 124.353 1.061 . . . . 10.0 110.704 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.6 t -55.63 -48.08 75.54 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 108.618 -0.882 . . . . 10.0 108.618 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.466 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 4.4 t-80 -51.35 -40.3 58.84 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 121.662 -0.649 . . . . 10.0 112.748 176.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -66.97 0.29 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 118.664 -0.684 . . . . 10.0 111.829 173.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -64.33 -9.82 20.27 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.246 1.022 . . . . 10.0 112.317 175.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 9.9 t -83.95 -61.76 1.74 Allowed 'General case' 0 C--O 1.218 -0.57 0 O-C-N 120.6 -1.313 . . . . 10.0 110.039 178.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.02 -24.66 3.94 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.633 1.173 . . . . 10.0 111.975 174.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.03 -32.57 34.86 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.531 1.132 . . . . 10.0 110.978 171.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -61.34 -10.09 6.52 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 121.102 -0.999 . . . . 10.0 112.519 176.192 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.8 8.44 87.48 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 125.912 1.72 . . . . 10.0 111.631 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -76.19 178.79 6.14 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 123.376 1.56 . . . . 10.0 111.039 175.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.49 154.63 33.07 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 114.588 -1.187 . . . . 10.0 111.737 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.466 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 48.4 p90 -54.8 -52.61 62.11 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 114.642 -0.779 . . . . 10.0 111.02 176.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.429 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -54.2 -58.83 5.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 122.237 1.018 . . . . 10.0 111.814 -175.226 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.417 ' N ' HG22 ' A' ' 24' ' ' THR . 39.7 t80 -51.77 -47.01 64.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.193 -0.912 . . . . 10.0 110.951 177.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.15 -34.39 77.51 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-O 118.456 -0.783 . . . . 10.0 112.13 175.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -59.1 5.84 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 125.376 1.47 . . . . 10.0 108.818 177.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 ttt -60.77 -14.62 22.55 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.584 0.707 . . . . 10.0 112.253 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.49 -62.96 1.29 Allowed 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 118.267 -0.873 . . . . 10.0 112.406 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.451 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 57.8 m -45.06 -29.81 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 126.512 1.925 . . . . 10.0 111.806 171.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -58.45 -63.27 1.34 Allowed 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.838 173.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -70.49 -22.07 62.7 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.757 0.423 . . . . 10.0 111.636 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.451 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 14.3 t70 -56.76 -72.97 0.07 Allowed 'General case' 0 C--O 1.236 0.373 0 O-C-N 120.619 -1.301 . . . . 10.0 110.43 176.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.1 t -86.95 45.12 1.23 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.5 0.667 . . . . 10.0 110.322 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -170.22 109.04 0.37 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 122.174 0.988 . . . . 10.0 111.413 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.655 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.6 t -74.1 -175.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 122.55 1.167 . . . . 10.0 109.103 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.655 ' H ' HG12 ' A' ' 36' ' ' VAL . 7.7 pttt -154.56 -162.19 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.395 -0.816 . . . . 10.0 109.464 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 39' ' ' VAL . 3.7 t70 -155.1 148.07 24.62 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 177.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 38' ' ' ASP . 24.3 t -155.16 80.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 106.275 -1.75 . . . . 10.0 106.275 178.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -50.06 144.91 6.31 Favored 'General case' 0 C--O 1.224 -0.288 0 O-C-N 122.007 -0.433 . . . . 10.0 110.406 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -124.72 36.31 4.63 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 123.651 1.691 . . . . 10.0 109.961 -176.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -140.33 76.48 1.56 Allowed 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.179 -1.415 . . . . 10.0 107.179 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 pp -46.29 154.48 0.27 Allowed 'General case' 0 C--O 1.233 0.209 0 O-C-N 124.128 0.893 . . . . 10.0 110.349 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.12 124.12 21.49 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.999 -0.741 . . . . 10.0 108.999 -177.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -153.17 159.16 42.64 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.316 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -176.53 115.74 0.11 Allowed 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -124.25 161.74 45.81 Favored Pre-proline 0 N--CA 1.462 0.145 0 CA-C-O 118.969 -0.538 . . . . 10.0 111.358 174.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -70.16 -168.78 0.31 Allowed 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 122.968 2.445 . . . . 10.0 111.29 176.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.42 145.69 31.44 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 123.84 0.856 . . . . 10.0 110.247 176.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 . . . . . 0 C--O 1.248 1.023 0 O-C-N 124.562 1.164 . . . . 10.0 108.947 179.159 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 107.929 -1.137 . . . . 10.0 107.929 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -140.12 112.13 7.58 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 124.154 0.982 . . . . 10.0 108.42 -173.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 170.85 -93.53 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.715 1.206 . . . . 10.0 110.75 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -53.77 -27.66 30.24 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 125.029 1.332 . . . . 10.0 112.178 177.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -83.32 -47.7 11.2 Favored 'General case' 0 C--O 1.215 -0.732 0 C-N-CA 125.366 1.466 . . . . 10.0 112.556 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -57.81 -29.65 65.07 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 123.239 0.616 . . . . 10.0 111.721 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -39.05 47.41 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 124.508 1.123 . . . . 10.0 110.681 175.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -41.21 73.33 Favored 'General case' 0 C--O 1.197 -1.709 0 CA-C-N 119.851 1.205 . . . . 10.0 109.15 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -62.54 -52.45 63.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 121.73 2.059 . . . . 10.0 112.052 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -62.1 -51.45 67.87 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 122.492 1.139 . . . . 10.0 110.231 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.7 m -66.65 -41.63 87.92 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.227 1.011 . . . . 10.0 111.862 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -58.65 -45.15 89.94 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 172.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.473 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 3.2 t-80 -56.52 -36.83 69.66 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 121.025 1.738 . . . . 10.0 113.155 176.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -60.14 4.16 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 117.698 -1.144 . . . . 10.0 112.458 172.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -69.39 -8.02 42.84 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 122.759 1.266 . . . . 10.0 112.784 173.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.0 t -85.43 -60.84 1.91 Allowed 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 119.009 -2.307 . . . . 10.0 108.96 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -24.92 31.19 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 118.03 -0.986 . . . . 10.0 112.213 175.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -50.26 -38.99 43.65 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.317 1.447 . . . . 10.0 112.73 168.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -11.45 3.15 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 113.682 0.993 . . . . 10.0 113.682 173.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.0 7.37 88.66 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 127.437 2.446 . . . . 10.0 111.742 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -69.32 176.19 3.5 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 123.469 1.604 . . . . 10.0 112.275 173.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.96 158.39 36.55 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 114.855 -1.066 . . . . 10.0 112.296 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -61.66 -54.46 42.47 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 125.465 1.506 . . . . 10.0 112.897 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.51 -56.03 18.0 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.083 1.753 . . . . 10.0 111.443 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -57.13 -41.36 78.93 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.722 -0.611 . . . . 10.0 110.805 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.473 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -61.82 -34.02 75.19 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 117.608 -1.187 . . . . 10.0 112.596 174.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -66.49 0.54 Allowed 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 126.002 1.721 . . . . 10.0 109.896 176.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -27.07 7.97 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.462 1.028 . . . . 10.0 112.618 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -80.62 -64.17 1.25 Allowed 'General case' 0 C--O 1.209 -1.062 0 CA-C-O 115.828 -2.034 . . . . 10.0 111.469 174.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 67.3 m -47.51 -29.55 2.86 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.533 1.933 . . . . 10.0 113.864 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -59.31 -64.22 1.02 Allowed 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 126.951 2.101 . . . . 10.0 110.603 172.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.415 ' HA ' ' HB3' ' A' ' 35' ' ' SER . 1.2 m -71.81 -18.75 62.07 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.012 -0.995 . . . . 10.0 112.031 176.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -60.77 -71.41 0.14 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 118.409 -2.682 . . . . 10.0 109.162 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 68.8 m -84.8 47.56 1.41 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.893 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.415 ' HB3' ' HA ' ' A' ' 32' ' ' THR . 53.7 p -93.81 90.26 6.47 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 123.434 1.588 . . . . 10.0 111.216 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.681 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.5 t -72.35 -175.51 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 122.51 1.148 . . . . 10.0 109.911 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.681 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -68.85 86.01 0.33 Allowed 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.556 -1.34 . . . . 10.0 110.671 175.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.38 135.06 34.04 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.12 0.968 . . . . 10.0 109.983 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.9 t -154.95 83.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 106.191 -1.781 . . . . 10.0 106.191 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.75 121.24 2.29 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.593 0.757 . . . . 10.0 111.415 173.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -74.73 175.85 7.56 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 122.326 1.06 . . . . 10.0 111.004 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.23 80.47 8.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.732 -0.84 . . . . 10.0 108.732 175.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.73 140.57 2.44 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.178 0.591 . . . . 10.0 110.618 175.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -132.35 158.77 41.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.471 -0.786 . . . . 10.0 108.901 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 177.67 -175.57 0.16 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.34 1.456 . . . . 10.0 109.67 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -151.6 -172.11 4.12 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.702 1.201 . . . . 10.0 109.972 -177.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.0 85.38 5.11 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.219 1.407 . . . . 10.0 110.408 175.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -65.82 143.9 75.34 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 121.7 1.6 . . . . 10.0 109.276 176.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.58 131.15 14.28 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.096 0.559 . . . . 10.0 110.279 173.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t30 . . . . . 0 C--O 1.254 1.342 0 O-C-N 125.642 1.839 . . . . 10.0 111.424 174.832 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 116.034 -1.936 . . . . 10.0 106.002 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 68.46 -53.29 0.55 Allowed 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.455 1.025 . . . . 10.0 113.169 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.92 -45.11 50.67 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 126.138 1.775 . . . . 10.0 113.067 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -47.31 -34.74 7.07 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.704 1.372 . . . . 10.0 114.704 171.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -87.43 -43.11 12.32 Favored 'General case' 0 C--O 1.212 -0.881 0 C-N-CA 127.053 2.141 . . . . 10.0 109.698 173.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -57.17 -31.75 65.71 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 121.095 1.77 . . . . 10.0 112.412 177.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.26 -39.17 63.19 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.335 1.054 . . . . 10.0 111.779 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -43.81 77.75 Favored 'General case' 0 C--O 1.199 -1.567 0 CA-C-N 119.499 1.045 . . . . 10.0 110.436 175.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -61.41 -52.85 62.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 120.865 1.666 . . . . 10.0 112.134 177.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -60.01 -52.8 63.83 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 122.613 1.197 . . . . 10.0 110.791 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.3 m -66.29 -44.91 82.2 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.53 1.132 . . . . 10.0 110.886 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.2 t -56.65 -45.03 81.85 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 173.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.401 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 4.0 t-80 -55.39 -36.69 66.67 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 123.921 0.888 . . . . 10.0 113.214 175.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -65.76 0.52 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.944 0.793 . . . . 10.0 112.695 171.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -64.92 -10.43 28.89 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 122.596 1.189 . . . . 10.0 113.081 173.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.1 t -83.9 -60.12 2.21 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 119.492 -2.005 . . . . 10.0 111.605 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.11 -24.27 17.08 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 117.207 -1.377 . . . . 10.0 112.489 173.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -50.9 -37.63 44.95 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.522 1.529 . . . . 10.0 112.238 167.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -11.04 3.06 Favored 'General case' 0 C--N 1.342 0.247 0 O-C-N 120.827 -1.171 . . . . 10.0 113.994 173.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.79 15.43 79.32 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 126.974 2.226 . . . . 10.0 111.339 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -77.37 174.94 10.24 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 123.0 1.381 . . . . 10.0 112.151 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.55 145.51 30.41 Favored Glycine 0 C--N 1.329 0.18 0 CA-C-N 115.32 -0.855 . . . . 10.0 111.569 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 8.9 p90 -46.39 -52.38 13.07 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 124.902 1.281 . . . . 10.0 110.429 174.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -57.44 12.39 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.02 1.328 . . . . 10.0 111.991 -175.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -55.57 -50.5 69.91 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.795 -0.566 . . . . 10.0 110.355 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.6 -32.61 69.15 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-O 117.354 -1.307 . . . . 10.0 113.273 174.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -66.49 0.54 Allowed 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 128.166 2.586 . . . . 10.0 108.839 176.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.5 mtp -54.01 -29.86 45.19 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.475 0.58 . . . . 10.0 112.547 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -76.42 -59.78 2.62 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 116.868 -1.539 . . . . 10.0 112.333 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.4 m -47.1 -28.89 1.92 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 126.632 1.973 . . . . 10.0 113.41 170.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -59.6 -63.21 1.38 Allowed 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 125.114 1.365 . . . . 10.0 110.937 172.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -71.25 -21.99 62.04 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.172 0.589 . . . . 10.0 111.856 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -56.2 -71.23 0.09 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 119.676 -1.89 . . . . 10.0 111.287 174.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -85.62 45.36 1.19 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 122.238 1.018 . . . . 10.0 110.779 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 t -166.42 97.19 0.58 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.28 1.432 . . . . 10.0 111.308 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.585 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.6 t -73.24 -178.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 119.721 -1.862 . . . . 10.0 108.994 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.585 ' H ' HG12 ' A' ' 36' ' ' VAL . 4.3 ttpt -167.15 145.51 4.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 124.506 1.122 . . . . 10.0 108.848 177.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -111.71 150.96 29.48 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 124.658 1.183 . . . . 10.0 110.05 175.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -149.69 80.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 106.468 -1.679 . . . . 10.0 106.468 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -50.86 132.87 26.97 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.059 0.544 . . . . 10.0 110.605 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.53 158.15 17.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.648 0.737 . . . . 10.0 109.344 -177.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -79.18 79.38 5.6 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.718 -1.215 . . . . 10.0 107.718 174.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.695 ' O ' HD13 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -45.29 159.06 0.06 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.921 1.288 . . . . 10.0 109.838 174.073 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.607 ' N ' HD22 ' A' ' 43' ' ' LEU . 2.8 mm-40 -161.53 154.03 20.16 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.577 -0.897 . . . . 10.0 108.577 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 177.12 138.15 0.07 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 124.56 1.144 . . . . 10.0 109.066 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -175.49 159.59 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -133.16 162.71 55.99 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-O 119.146 -0.454 . . . . 10.0 112.049 173.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -71.1 -174.78 1.26 Allowed 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 122.779 2.32 . . . . 10.0 110.466 176.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.26 140.74 18.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.178 -1.416 . . . . 10.0 107.178 176.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 C--O 1.257 1.492 0 O-C-N 124.813 1.321 . . . . 10.0 112.547 172.741 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.502 -0.868 0 N-CA-C 107.52 -1.289 . . . . 10.0 107.52 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 73.35 -53.23 0.7 Allowed 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 125.516 1.526 . . . . 10.0 110.076 175.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.13 -48.47 44.63 Favored 'General case' 0 C--O 1.218 -0.574 0 C-N-CA 124.788 1.235 . . . . 10.0 111.882 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -44.93 -33.1 1.86 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.466 0.913 . . . . 10.0 113.466 174.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -89.46 -42.37 11.52 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 125.561 1.544 . . . . 10.0 110.589 174.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -56.76 -29.9 63.06 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 120.189 1.359 . . . . 10.0 111.59 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -78.37 -34.74 48.07 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 123.931 0.892 . . . . 10.0 111.17 174.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.54 -43.19 66.86 Favored 'General case' 0 C--O 1.197 -1.677 0 CA-C-O 118.2 -0.905 . . . . 10.0 110.045 175.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -62.49 -51.65 66.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 120.314 1.416 . . . . 10.0 111.526 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -61.3 -52.39 64.9 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 122.407 1.099 . . . . 10.0 110.211 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.4 m -64.69 -44.96 88.63 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.235 -0.893 . . . . 10.0 110.819 -178.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.1 t -56.61 -46.16 81.07 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.786 -0.82 . . . . 10.0 108.786 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -53.31 -40.42 64.77 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 118.304 -0.855 . . . . 10.0 111.298 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -66.48 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 118.939 0.79 . . . . 10.0 111.725 174.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.76 -13.19 30.09 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-O 123.205 1.479 . . . . 10.0 112.404 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.3 t -81.05 -64.78 1.11 Allowed 'General case' 0 N--CA 1.439 -1.015 0 O-C-N 119.376 -2.077 . . . . 10.0 110.223 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -24.78 5.18 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 125.078 1.351 . . . . 10.0 111.23 175.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.47 -36.76 45.67 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.236 1.014 . . . . 10.0 111.736 170.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -12.71 4.3 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.257 -0.902 . . . . 10.0 112.966 175.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.52 15.57 77.81 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 125.67 1.605 . . . . 10.0 110.123 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -78.9 178.91 7.61 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 122.584 1.183 . . . . 10.0 111.478 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.92 150.3 35.72 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.382 -0.826 . . . . 10.0 111.887 174.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -57.14 -56.06 26.65 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 117.824 -1.084 . . . . 10.0 110.533 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -49.23 -59.29 3.8 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 124.445 1.098 . . . . 10.0 111.192 -179.704 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.448 ' N ' HG22 ' A' ' 24' ' ' THR . 27.0 t80 -54.11 -49.46 69.07 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.749 -0.594 . . . . 10.0 110.126 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -33.71 70.46 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 118.185 -0.912 . . . . 10.0 111.399 176.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -65.57 0.66 Allowed 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 126.211 1.804 . . . . 10.0 109.797 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -30.28 40.13 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 121.35 0.595 . . . . 10.0 111.963 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -62.17 1.67 Allowed 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 116.158 -1.877 . . . . 10.0 111.794 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 52.7 m -46.49 -28.51 1.42 Allowed 'General case' 0 CA--C 1.535 0.394 0 O-C-N 125.335 1.647 . . . . 10.0 111.349 173.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.86 -62.0 2.2 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 123.94 0.896 . . . . 10.0 110.741 174.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -70.93 -25.0 62.56 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 118.506 -0.759 . . . . 10.0 111.81 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.417 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 23.1 t70 -54.49 -73.02 0.05 Allowed 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.962 1.305 . . . . 10.0 110.111 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 t -83.37 58.84 4.72 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.93 125.41 12.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.882 1.325 . . . . 10.0 109.586 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.666 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.6 t -77.56 -175.61 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 115.217 -0.901 . . . . 10.0 108.86 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.666 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -173.13 121.88 0.38 Allowed 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 178.38 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -127.5 163.37 24.28 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 124.053 0.846 . . . . 10.0 109.047 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.4 t -146.03 72.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.263 -1.384 . . . . 10.0 107.263 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -45.28 125.59 5.62 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 121.975 -0.453 . . . . 10.0 110.538 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.95 162.48 21.49 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.922 0.868 . . . . 10.0 109.65 -177.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.45 77.09 8.35 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.08 124.13 3.72 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.608 0.763 . . . . 10.0 109.883 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -171.6 142.91 1.66 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -172.82 146.3 1.57 Allowed 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 177.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -177.66 114.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.2 155.48 40.12 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.342 175.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -72.11 -173.76 1.18 Allowed 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 122.596 2.197 . . . . 10.0 111.821 177.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -106.93 -58.68 1.91 Allowed 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 117.355 -1.307 . . . . 10.0 110.005 176.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 . . . . . 0 C--O 1.243 0.737 0 O-C-N 125.31 1.631 . . . . 10.0 110.485 179.631 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 . . . . . 0 CA--C 1.501 -0.93 0 N-CA-C 108.208 -1.034 . . . . 10.0 108.208 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 72.99 -56.45 0.66 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.254 0.479 . . . . 10.0 111.636 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.7 82.13 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.859 1.663 . . . . 10.0 111.57 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -30.87 4.98 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 176.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.422 ' CE2' ' O ' ' A' ' 34' ' ' CYS . 20.5 t80 -86.2 -45.07 11.66 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.332 1.053 . . . . 10.0 112.996 173.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -55.37 -28.86 56.64 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 118.957 0.799 . . . . 10.0 111.577 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -78.5 -36.93 44.3 Favored 'General case' 0 C--O 1.21 -0.985 0 C-N-CA 123.665 0.786 . . . . 10.0 110.546 174.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -70.0 -42.78 72.58 Favored 'General case' 0 C--O 1.199 -1.561 0 CA-C-N 119.83 1.195 . . . . 10.0 110.144 176.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.422 ' CE1' ' HG2' ' A' ' 27' ' ' GLU . 26.0 t80 -62.91 -52.05 64.55 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 120.884 1.674 . . . . 10.0 111.394 178.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -61.47 -52.14 65.76 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 122.322 1.058 . . . . 10.0 110.036 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.4 m -64.85 -45.03 87.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.632 0.773 . . . . 10.0 110.901 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 42.2 t -57.29 -45.36 84.2 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.454 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.7 t-80 -54.4 -39.25 67.07 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 117.856 -1.068 . . . . 10.0 110.802 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -55.22 -69.76 0.12 Allowed 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 118.05 -0.976 . . . . 10.0 111.818 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.91 -17.13 35.02 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 123.033 1.396 . . . . 10.0 112.56 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.2 t -77.28 -70.56 0.46 Allowed 'General case' 0 N--CA 1.435 -1.22 0 O-C-N 120.025 -1.672 . . . . 10.0 109.701 176.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -24.25 9.31 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 125.051 1.34 . . . . 10.0 110.942 177.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -51.7 -36.31 46.17 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.655 1.182 . . . . 10.0 111.286 171.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -13.52 5.17 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 120.836 -1.165 . . . . 10.0 112.965 175.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.81 17.71 65.08 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 126.469 1.985 . . . . 10.0 110.167 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -78.53 179.01 7.33 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 122.627 1.203 . . . . 10.0 111.745 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.5 151.04 37.46 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.85 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -57.41 -57.54 12.22 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 117.253 -1.356 . . . . 10.0 111.118 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -48.99 -59.11 3.89 Favored 'General case' 0 C--O 1.217 -0.637 0 O-C-N 125.309 1.631 . . . . 10.0 110.593 179.82 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.41 ' N ' HG22 ' A' ' 24' ' ' THR . 42.7 t80 -54.05 -47.11 71.95 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 122.847 0.459 . . . . 10.0 110.463 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.454 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -59.27 -36.82 76.22 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-O 118.243 -0.884 . . . . 10.0 111.669 175.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -67.4 -67.52 0.45 Allowed 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 126.298 1.839 . . . . 10.0 110.843 177.199 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mmt -47.45 -28.81 2.31 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 124.487 1.115 . . . . 10.0 112.385 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -66.58 0.86 Allowed 'General case' 0 CA--C 1.498 -1.037 0 CA-C-O 115.788 -2.053 . . . . 10.0 111.596 174.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 59.0 m -45.07 -27.63 0.6 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.155 1.382 . . . . 10.0 112.119 176.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -60.46 -62.52 1.8 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.778 1.631 . . . . 10.0 110.352 174.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -73.5 -25.3 60.37 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 115.574 -0.739 . . . . 10.0 111.457 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.06 -71.06 0.08 Allowed 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.749 1.22 . . . . 10.0 109.933 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.422 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 1.8 t -93.04 95.54 9.52 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.239 -1.023 . . . . 10.0 108.239 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.1 p -174.96 120.05 0.2 Allowed 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 123.296 1.522 . . . . 10.0 110.003 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.673 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.5 t -76.3 -173.65 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 O-C-N 120.573 -1.329 . . . . 10.0 109.188 178.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.673 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -136.69 144.89 44.16 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 120.863 -1.148 . . . . 10.0 109.826 177.449 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.86 161.03 4.14 Favored 'General case' 0 C--O 1.242 0.667 0 O-C-N 124.54 1.15 . . . . 10.0 109.944 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.4 p -108.56 48.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 121.649 -0.657 . . . . 10.0 111.687 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 mttt 173.34 -88.45 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 124.372 1.069 . . . . 10.0 110.016 -177.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -157.85 150.37 22.57 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 123.851 0.72 . . . . 10.0 109.588 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -83.98 63.79 7.78 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 108.987 -0.745 . . . . 10.0 108.987 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.51 155.03 0.16 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.422 0.63 . . . . 10.0 110.405 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.37 85.39 2.12 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.42 -1.326 . . . . 10.0 107.42 -176.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -51.3 169.48 0.05 Allowed 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 123.165 1.46 . . . . 10.0 111.004 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.432 ' CD2' ' HD3' ' A' ' 48' ' ' PRO . 14.3 p90 -140.46 149.06 42.07 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 120.955 -1.091 . . . . 10.0 109.639 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -129.48 84.65 61.2 Favored Pre-proline 0 C--O 1.234 0.259 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.432 ' HD3' ' CD2' ' A' ' 46' ' ' TYR . 17.8 Cg_endo -71.7 143.42 41.84 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.987 1.792 . . . . 10.0 109.446 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.5 -77.63 0.02 OUTLIER 'General case' 0 C--O 1.234 0.276 0 CA-C-O 117.88 -1.057 . . . . 10.0 111.211 178.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 . . . . . 0 C--O 1.255 1.37 0 O-C-N 125.355 1.659 . . . . 10.0 111.492 175.004 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 107.354 -1.35 . . . . 10.0 107.354 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 68.08 -64.79 0.28 Allowed 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 125.183 1.393 . . . . 10.0 111.114 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.69 -48.12 69.82 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 125.558 1.543 . . . . 10.0 112.419 175.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -48.08 -31.74 5.91 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.432 0.901 . . . . 10.0 113.432 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -87.71 -43.06 12.2 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 125.577 1.551 . . . . 10.0 110.686 174.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -35.44 54.66 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 120.656 1.571 . . . . 10.0 110.148 176.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.58 -38.56 62.62 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 117.731 -1.128 . . . . 10.0 110.229 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.86 -43.04 76.22 Favored 'General case' 0 C--O 1.195 -1.764 0 CA-C-O 117.608 -1.187 . . . . 10.0 109.805 175.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 27' ' ' GLU . 26.3 t80 -62.42 -52.59 62.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 120.847 1.658 . . . . 10.0 111.578 178.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -61.18 -51.99 66.72 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 122.735 1.255 . . . . 10.0 110.224 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -65.2 -45.11 86.12 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.403 -0.817 . . . . 10.0 111.005 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.3 t -56.9 -46.49 81.9 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 107.688 -1.227 . . . . 10.0 107.688 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -54.27 -37.66 64.95 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 119.466 1.03 . . . . 10.0 111.542 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -69.87 0.14 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 117.906 -1.045 . . . . 10.0 112.267 173.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.53 -17.7 23.49 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 122.782 1.277 . . . . 10.0 112.421 175.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.1 t -78.38 -66.8 0.81 Allowed 'General case' 0 N--CA 1.438 -1.06 0 O-C-N 119.676 -1.89 . . . . 10.0 110.246 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -23.65 20.89 Favored 'General case' 0 C--O 1.225 -0.203 0 O-C-N 120.857 -1.152 . . . . 10.0 111.103 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -52.31 -36.48 53.32 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.995 1.318 . . . . 10.0 111.758 170.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -12.06 5.77 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 121.331 -0.856 . . . . 10.0 113.291 174.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.36 18.98 67.58 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 126.538 2.018 . . . . 10.0 110.702 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -78.21 177.38 8.43 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 122.609 1.195 . . . . 10.0 111.824 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.87 147.03 34.52 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.624 174.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -52.28 -58.91 5.18 Favored 'General case' 0 C--O 1.219 -0.502 0 C-N-CA 124.445 1.098 . . . . 10.0 111.189 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.02 -58.14 6.11 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 125.45 1.5 . . . . 10.0 110.781 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.46 -47.83 69.39 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 122.816 0.446 . . . . 10.0 110.591 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.54 -37.11 74.98 Favored 'General case' 0 N--CA 1.433 -1.277 0 O-C-N 123.672 0.608 . . . . 10.0 112.009 176.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 1.2 mt-10 -67.66 -67.07 0.49 Allowed 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 125.986 1.714 . . . . 10.0 111.625 176.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.32 -28.93 3.44 Favored 'General case' 0 N--CA 1.461 0.103 0 C-N-CA 124.621 1.169 . . . . 10.0 111.995 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -80.35 -63.86 1.31 Allowed 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 114.753 -2.546 . . . . 10.0 111.931 174.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.6 m -44.74 -29.98 0.87 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.032 1.733 . . . . 10.0 112.55 175.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -57.44 -63.0 1.38 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.903 1.681 . . . . 10.0 110.727 173.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 m -74.25 -27.13 60.62 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.749 -0.66 . . . . 10.0 111.949 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -55.26 -66.15 0.46 Allowed 'General case' 0 C--O 1.233 0.208 0 C-N-CA 126.668 1.987 . . . . 10.0 109.524 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.4 m -81.41 46.87 0.98 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.775 176.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -165.09 57.23 0.12 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 122.991 1.376 . . . . 10.0 110.532 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.652 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.6 t -75.39 -177.37 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 O-C-N 120.986 -1.071 . . . . 10.0 108.48 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.652 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -177.41 113.23 0.08 Allowed 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.294 -1.002 . . . . 10.0 108.294 178.821 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -42.92 123.33 2.72 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 124.371 1.044 . . . . 10.0 110.535 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.553 ' O ' HG12 ' A' ' 39' ' ' VAL . 5.7 t -153.65 81.26 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.398 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 -176.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 167.74 104.35 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.139 0.976 . . . . 10.0 109.903 -177.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -57.02 165.99 1.14 Allowed 'General case' 0 C--O 1.245 0.858 0 CA-C-O 122.36 1.076 . . . . 10.0 111.718 176.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.82 66.59 6.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.09 177.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.619 HD22 ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -40.78 128.86 2.62 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 124.449 1.1 . . . . 10.0 108.922 175.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 178.26 -43.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 122.341 0.257 . . . . 10.0 110.455 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -45.05 149.85 0.44 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 122.71 1.243 . . . . 10.0 111.98 174.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.27 141.56 10.9 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.488 -0.778 . . . . 10.0 109.281 -176.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -86.78 153.92 55.42 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.861 -0.608 . . . . 10.0 111.163 176.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -71.36 162.7 41.54 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 122.359 2.039 . . . . 10.0 111.175 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.78 166.61 11.39 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.4 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--O 1.237 0.444 0 C-N-CA 124.436 1.094 . . . . 10.0 112.03 177.336 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 122.008 0.909 . . . . 10.0 109.115 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.28 -38.61 5.21 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.38 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.6 -45.27 75.97 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.61 0.967 . . . . 10.0 113.61 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -49.45 -33.24 13.71 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.397 1.094 . . . . 10.0 113.217 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -87.72 -47.25 8.8 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 126.873 2.069 . . . . 10.0 111.144 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -39.61 58.49 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.375 1.443 . . . . 10.0 110.796 175.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -70.71 -42.65 70.32 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 124.89 1.276 . . . . 10.0 111.04 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -44.81 90.43 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-O 118.82 -0.61 . . . . 10.0 110.866 173.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -60.95 -54.5 44.26 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 125.459 1.503 . . . . 10.0 112.477 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.54 -50.42 73.61 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.828 1.251 . . . . 10.0 111.309 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.7 m -69.08 -42.2 76.51 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.29 1.436 . . . . 10.0 112.346 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.4 t -58.95 -44.38 91.42 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 108.728 -0.842 . . . . 10.0 108.728 169.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 17' ' ' SER . 5.8 t-80 -56.75 -31.3 64.44 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.075 -1.641 . . . . 10.0 114.304 176.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.43 -68.88 0.26 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.225 1.81 . . . . 10.0 112.197 170.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -62.13 -14.84 41.07 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 122.733 1.254 . . . . 10.0 113.795 175.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.4 t -81.27 -60.02 2.43 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 119.638 -1.914 . . . . 10.0 112.654 173.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -59.75 -24.21 63.87 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.831 -1.168 . . . . 10.0 112.251 174.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -50.15 -41.19 48.55 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 126.451 1.9 . . . . 10.0 111.977 166.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -9.03 1.07 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.856 1.428 . . . . 10.0 114.856 173.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.75 17.73 76.78 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 128.088 2.756 . . . . 10.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -77.03 170.41 16.58 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.539 1.162 . . . . 10.0 112.105 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.87 146.07 42.67 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 115.367 -0.833 . . . . 10.0 111.61 173.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -50.2 -57.88 6.8 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.523 1.529 . . . . 10.0 112.218 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 m -52.94 -55.41 23.64 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 127.34 2.256 . . . . 10.0 111.897 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -54.12 -49.36 69.35 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 122.754 0.422 . . . . 10.0 110.538 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -36.71 75.68 Favored 'General case' 0 C--O 1.205 -1.25 0 CA-C-O 117.875 -1.06 . . . . 10.0 113.492 175.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.18 -69.48 0.29 Allowed 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 126.933 2.093 . . . . 10.0 111.338 174.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -30.46 2.26 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.201 1.8 . . . . 10.0 113.209 176.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -62.83 1.54 Allowed 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 117.151 -1.404 . . . . 10.0 111.918 170.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 67.0 m -46.78 -29.05 1.74 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.689 1.996 . . . . 10.0 115.212 175.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -57.89 -65.53 0.62 Allowed 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 128.356 2.662 . . . . 10.0 110.414 169.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -72.19 -26.05 61.91 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 118.19 -0.91 . . . . 10.0 112.94 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -53.54 -69.99 0.1 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 128.268 2.627 . . . . 10.0 110.997 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.3 t -88.62 88.71 7.7 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.816 -1.179 . . . . 10.0 107.816 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -120.64 105.01 10.38 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.062 1.345 . . . . 10.0 109.101 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.649 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.5 t -71.49 -175.45 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-O 122.725 1.25 . . . . 10.0 109.977 177.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.649 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -133.09 -171.33 2.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.064 -1.023 . . . . 10.0 110.622 175.685 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.6 140.59 33.57 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.37 1.468 . . . . 10.0 109.284 175.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -103.09 51.18 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 127.356 2.263 . . . . 10.0 110.004 173.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -50.42 142.81 9.87 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 121.184 -0.948 . . . . 10.0 112.387 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -76.76 -179.95 5.7 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 114.286 -1.324 . . . . 10.0 111.142 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.06 85.6 2.42 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 124.336 1.055 . . . . 10.0 108.167 173.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 44' ' ' GLU . 1.3 pp -48.86 144.39 4.62 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 124.358 1.036 . . . . 10.0 111.362 173.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.42 ' O ' HD12 ' A' ' 43' ' ' LEU . 8.1 pt-20 -90.64 167.02 12.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 122.135 0.969 . . . . 10.0 111.065 -178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -164.73 149.55 9.55 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -135.68 178.46 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.725 0.774 . . . . 10.0 110.964 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.19 75.05 4.85 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.821 173.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -62.25 154.67 61.63 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 N-CA-C 108.967 -1.205 . . . . 10.0 108.967 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.42 153.74 2.83 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.148 0.979 . . . . 10.0 111.666 173.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.252 23.8 t-20 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 117.049 -1.453 . . . . 10.0 109.232 171.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 117.565 -1.207 . . . . 10.0 107.767 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 69.51 -60.38 0.47 Allowed 'General case' 0 C--O 1.215 -0.763 0 C-N-CA 125.251 1.42 . . . . 10.0 111.047 176.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.41 -48.06 47.44 Favored 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 125.694 1.598 . . . . 10.0 112.34 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.16 -32.09 2.77 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 174.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.437 ' CE2' ' O ' ' A' ' 34' ' ' CYS . 32.4 t80 -88.19 -43.76 11.38 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 125.058 1.343 . . . . 10.0 112.98 173.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -55.82 -29.68 60.17 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 119.186 0.903 . . . . 10.0 111.316 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.54 -37.93 55.87 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 118.019 -0.991 . . . . 10.0 111.067 174.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -43.33 71.88 Favored 'General case' 0 C--O 1.196 -1.717 0 CA-C-N 119.581 1.082 . . . . 10.0 109.901 176.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -61.79 -51.82 66.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 120.813 1.642 . . . . 10.0 111.664 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -61.76 -52.78 62.81 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 122.972 1.368 . . . . 10.0 109.899 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.9 m -64.45 -44.5 90.91 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.902 -1.044 . . . . 10.0 110.951 -178.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.6 t -57.11 -46.89 82.26 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 107.767 -1.197 . . . . 10.0 107.767 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.476 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 4.6 t-80 -52.95 -39.53 62.98 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 119.222 0.919 . . . . 10.0 111.724 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -53.7 -65.74 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 118.04 -0.981 . . . . 10.0 112.358 174.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.62 -12.87 25.79 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 124.478 1.111 . . . . 10.0 112.539 173.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.3 t -83.07 -60.95 1.99 Allowed 'General case' 0 N--CA 1.439 -0.996 0 O-C-N 119.597 -1.939 . . . . 10.0 109.45 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -25.54 5.83 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 125.686 1.594 . . . . 10.0 111.705 174.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.78 -32.89 21.23 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.98 0.912 . . . . 10.0 112.536 170.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -11.87 7.28 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.528 0.731 . . . . 10.0 112.617 174.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.8 7.29 88.21 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 126.775 2.131 . . . . 10.0 111.043 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -73.72 179.04 4.39 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 123.475 1.607 . . . . 10.0 111.79 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.16 155.03 32.38 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 114.882 -1.054 . . . . 10.0 111.73 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.476 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 43.4 p90 -57.38 -48.47 78.97 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 117.303 -1.332 . . . . 10.0 111.054 176.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.415 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -59.3 -55.2 37.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 122.262 1.029 . . . . 10.0 110.13 -174.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -55.36 -47.44 75.76 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 121.571 -0.705 . . . . 10.0 110.353 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.63 -32.88 73.98 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-O 118.336 -0.84 . . . . 10.0 111.635 175.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -59.2 5.76 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 126.227 1.811 . . . . 10.0 108.85 177.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.4 mtt -62.52 -11.74 18.22 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 113.159 0.8 . . . . 10.0 113.159 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.32 -64.15 1.11 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 117.354 -1.308 . . . . 10.0 112.387 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.1 m -44.59 -30.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 127.021 2.128 . . . . 10.0 111.532 171.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -58.98 -62.05 2.17 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 123.642 0.777 . . . . 10.0 110.941 172.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -68.3 -27.39 66.26 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-O 118.24 -0.886 . . . . 10.0 111.614 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -54.72 -75.18 0.03 OUTLIER 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.43 1.092 . . . . 10.0 110.015 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.437 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 6.0 t -91.85 92.44 8.36 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 105.463 -2.051 . . . . 10.0 105.463 -175.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.68 141.76 0.39 Allowed 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 122.696 1.236 . . . . 10.0 109.562 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.668 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.6 t -77.46 -175.63 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-O 122.711 1.243 . . . . 10.0 109.066 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.668 ' H ' HG12 ' A' ' 36' ' ' VAL . 2.7 tttm -149.06 -147.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 120.852 -1.155 . . . . 10.0 109.649 177.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.84 122.32 39.19 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.134 0.974 . . . . 10.0 109.576 177.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.8 p -118.32 61.87 0.2 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-O 121.944 0.878 . . . . 10.0 109.626 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.87 116.77 1.15 Allowed 'General case' 0 N--CA 1.464 0.23 0 O-C-N 121.236 -0.915 . . . . 10.0 110.808 -178.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.19 111.94 9.85 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 106.953 -1.499 . . . . 10.0 106.953 -175.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -48.93 106.7 0.11 Allowed 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 123.62 0.768 . . . . 10.0 109.165 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 43' ' ' LEU . 12.0 mt -159.26 131.03 6.35 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.488 1.515 . . . . 10.0 109.31 -177.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -143.03 173.35 11.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.402 -0.817 . . . . 10.0 110.187 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -53.71 178.88 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 123.531 1.634 . . . . 10.0 112.065 173.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -112.62 -172.12 1.99 Allowed 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.87 -1.059 . . . . 10.0 112.222 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.08 74.72 5.55 Favored Pre-proline 0 C--O 1.237 0.429 0 C-N-CA 123.337 0.655 . . . . 10.0 110.519 175.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -66.5 151.1 83.71 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 121.016 1.144 . . . . 10.0 109.243 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.1 165.26 0.23 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.652 -0.703 . . . . 10.0 109.567 174.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 CA--C 1.57 1.715 0 O-C-N 125.188 1.555 . . . . 10.0 114.133 177.927 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 107.781 -1.192 . . . . 10.0 107.781 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -174.86 117.68 0.18 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 -174.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.17 -95.1 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.861 -0.59 . . . . 10.0 109.824 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -54.59 -24.27 20.51 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 123.812 0.845 . . . . 10.0 111.653 178.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -90.77 -44.51 9.4 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.547 1.139 . . . . 10.0 112.043 175.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -59.25 -27.77 66.1 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 118.455 0.57 . . . . 10.0 111.246 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.63 -35.35 39.56 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 117.759 -1.115 . . . . 10.0 110.845 175.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.77 -41.63 64.84 Favored 'General case' 0 C--O 1.196 -1.731 0 CA-C-N 119.335 0.971 . . . . 10.0 109.602 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.415 ' CE1' ' HG2' ' A' ' 27' ' ' GLU . 24.7 t80 -63.33 -51.16 67.13 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 120.388 1.449 . . . . 10.0 111.05 178.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -63.09 -50.37 70.81 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 122.333 1.064 . . . . 10.0 110.394 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -65.75 -44.67 85.23 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.393 -0.822 . . . . 10.0 110.889 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.569 ' HG ' ' HG ' ' A' ' 30' ' ' CYS . 47.7 t -57.48 -46.37 83.77 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 107.778 -1.193 . . . . 10.0 107.778 175.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -53.81 -39.08 65.2 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 117.791 -1.099 . . . . 10.0 111.011 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.65 -70.82 0.1 Allowed 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 117.825 -1.083 . . . . 10.0 111.901 174.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.03 -17.68 27.61 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 123.711 1.72 . . . . 10.0 112.133 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.2 t -77.26 -69.14 0.55 Allowed 'General case' 0 N--CA 1.435 -1.208 0 O-C-N 119.265 -2.147 . . . . 10.0 109.953 177.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -24.66 11.56 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 124.769 1.228 . . . . 10.0 110.879 177.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.88 -38.92 57.98 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.444 1.098 . . . . 10.0 111.369 171.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -12.99 3.94 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 121.102 -0.999 . . . . 10.0 113.05 175.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.95 20.75 67.17 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 125.938 1.732 . . . . 10.0 109.877 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -76.18 178.92 6.04 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.871 1.32 . . . . 10.0 111.642 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.08 132.07 11.83 Favored Glycine 0 C--O 1.223 -0.571 0 N-CA-C 110.712 -0.955 . . . . 10.0 110.712 175.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.01 -61.49 0.86 Allowed 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 125.281 1.432 . . . . 10.0 113.065 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.81 -56.69 6.87 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 125.215 1.406 . . . . 10.0 110.691 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.8 -45.77 74.39 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 123.031 0.533 . . . . 10.0 110.882 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -58.5 -37.76 76.25 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-O 118.472 -0.775 . . . . 10.0 111.739 175.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -67.49 -67.75 0.43 Allowed 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 125.339 1.456 . . . . 10.0 111.588 176.273 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.88 -29.28 1.92 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.342 1.057 . . . . 10.0 112.286 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -64.1 1.26 Allowed 'General case' 0 C--O 1.212 -0.885 0 CA-C-O 115.954 -1.974 . . . . 10.0 112.174 174.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.569 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 54.9 m -45.63 -27.9 0.88 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.135 1.374 . . . . 10.0 112.234 175.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -61.64 -61.91 2.19 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.034 1.334 . . . . 10.0 110.921 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.07 -22.01 60.67 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.469 -0.787 . . . . 10.0 111.741 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -54.34 -73.48 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.543 1.537 . . . . 10.0 109.651 178.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.4 m -79.42 85.2 5.24 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 107.685 -1.228 . . . . 10.0 107.685 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.45 132.51 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.259 1.028 . . . . 10.0 108.904 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.674 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.5 t -76.06 -174.66 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-O 122.321 1.058 . . . . 10.0 109.314 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.674 ' H ' HG12 ' A' ' 36' ' ' VAL . 41.9 pttt -138.29 -156.62 0.7 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.253 -0.905 . . . . 10.0 110.477 177.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -84.25 166.41 17.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 122.01 0.91 . . . . 10.0 111.907 174.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.607 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.5 p -118.58 66.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 122.143 0.973 . . . . 10.0 108.651 177.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.16 156.11 0.11 Allowed 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.5 -0.75 . . . . 10.0 110.939 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.82 162.85 0.82 Allowed 'General case' 0 C--O 1.242 0.7 0 CA-C-O 122.156 0.979 . . . . 10.0 111.286 -177.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.24 82.93 3.79 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.589 -1.263 . . . . 10.0 107.589 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -44.55 151.09 0.29 Allowed 'General case' 0 C--O 1.236 0.394 0 O-C-N 124.277 0.986 . . . . 10.0 110.984 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -159.25 172.12 18.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.905 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -164.49 167.59 19.31 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 122.778 1.275 . . . . 10.0 110.405 179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -145.06 169.74 17.53 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.377 -0.829 . . . . 10.0 110.624 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.53 71.54 14.13 Favored Pre-proline 0 C--O 1.232 0.174 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.276 175.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -71.05 133.18 22.68 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 121.893 1.729 . . . . 10.0 109.557 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -51.02 145.6 7.23 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 108.844 -0.799 . . . . 10.0 108.844 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.7 t30 . . . . . 0 CA--C 1.544 0.749 0 O-C-N 125.61 1.819 . . . . 10.0 111.525 176.325 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 . . . . . 0 CA--C 1.488 -1.433 0 CA-C-O 117.05 -1.452 . . . . 10.0 110.075 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.69 108.04 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 O-C-N 126.389 2.305 . . . . 10.0 110.858 175.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.26 -95.52 0.09 Allowed 'General case' 0 CA--C 1.512 -0.499 0 O-C-N 120.55 -1.344 . . . . 10.0 109.976 -176.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.29 -25.42 23.55 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.058 0.762 . . . . 10.0 113.058 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -89.94 -44.68 9.72 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 125.275 1.43 . . . . 10.0 111.188 174.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -29.98 67.89 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 119.027 0.831 . . . . 10.0 111.791 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.68 -37.77 59.26 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 117.872 -1.061 . . . . 10.0 111.161 174.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -43.31 71.04 Favored 'General case' 0 C--O 1.199 -1.589 0 CA-C-N 119.359 0.981 . . . . 10.0 109.899 176.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -61.43 -51.62 67.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 120.586 1.539 . . . . 10.0 111.72 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -62.3 -52.44 63.68 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 122.786 1.279 . . . . 10.0 110.314 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -64.21 -45.21 89.27 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.014 -0.993 . . . . 10.0 110.759 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -56.02 -47.57 77.55 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 124.544 1.138 . . . . 10.0 108.019 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.471 ' CE1' ' HA ' ' A' ' 23' ' ' PHE . 5.7 t-80 -52.71 -38.94 61.52 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 118.944 0.793 . . . . 10.0 112.06 177.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -54.28 -65.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 118.547 -0.74 . . . . 10.0 112.381 173.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -64.14 -10.56 23.57 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 122.62 1.2 . . . . 10.0 112.408 173.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 8.5 t -84.06 -60.19 2.18 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 119.247 -2.158 . . . . 10.0 110.069 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -24.89 8.84 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 125.691 1.596 . . . . 10.0 111.956 174.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -51.28 -33.72 29.77 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.636 1.175 . . . . 10.0 112.346 169.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -60.18 -11.1 5.38 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 121.422 -0.799 . . . . 10.0 113.016 174.406 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.28 7.69 88.09 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 126.499 1.999 . . . . 10.0 111.385 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -73.59 178.73 4.51 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 123.524 1.63 . . . . 10.0 111.754 175.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.37 154.35 31.35 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 114.663 -1.153 . . . . 10.0 111.707 175.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.471 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 42.3 p90 -55.86 -49.3 73.71 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-O 117.373 -1.299 . . . . 10.0 110.957 176.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -55.07 39.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.383 1.087 . . . . 10.0 110.769 -174.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -55.1 -46.69 75.55 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 121.59 -0.694 . . . . 10.0 110.6 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -33.7 76.05 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-O 117.985 -1.007 . . . . 10.0 112.197 175.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -59.8 4.85 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 125.928 1.691 . . . . 10.0 108.45 176.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.3 mtt -61.93 -10.7 10.21 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.564 0.949 . . . . 10.0 113.564 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.8 -63.17 1.18 Allowed 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 116.551 -1.69 . . . . 10.0 112.453 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 59.5 m -45.72 -28.96 1.14 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.457 2.303 . . . . 10.0 112.114 171.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -57.75 -61.65 2.37 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-O 122.624 1.202 . . . . 10.0 111.089 172.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -70.22 -27.23 64.31 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 117.669 -1.158 . . . . 10.0 111.247 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 5.6 t70 -53.45 -73.0 0.05 OUTLIER 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.489 1.116 . . . . 10.0 110.541 176.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.1 m -82.47 69.19 9.17 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 107.938 -1.134 . . . . 10.0 107.938 -177.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -174.46 143.99 0.86 Allowed 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 122.993 1.377 . . . . 10.0 109.223 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.634 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.5 t -77.84 -178.41 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 120.799 -1.188 . . . . 10.0 109.452 177.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.634 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -173.23 -155.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.086 0.955 . . . . 10.0 110.603 179.201 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.71 165.46 17.84 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.698 0.799 . . . . 10.0 111.09 173.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.7 t -136.93 79.9 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 106.488 -1.671 . . . . 10.0 106.488 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.25 133.88 11.71 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.235 176.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -65.32 167.36 8.56 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 122.074 0.94 . . . . 10.0 110.403 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.38 106.58 16.08 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.166 -1.05 . . . . 10.0 108.166 175.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.9 156.2 0.22 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 124.578 1.174 . . . . 10.0 111.38 177.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -133.1 166.91 21.33 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.544 -0.722 . . . . 10.0 109.845 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -164.03 166.95 20.97 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.745 -0.662 . . . . 10.0 109.638 175.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -111.87 173.32 6.41 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.024 0.916 . . . . 10.0 110.783 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.7 153.68 80.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.418 175.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -70.97 -175.04 1.3 Allowed 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 122.48 2.12 . . . . 10.0 111.181 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -108.49 172.61 6.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 118.076 -0.964 . . . . 10.0 109.918 174.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.243 0.762 0 O-C-N 126.03 2.081 . . . . 10.0 111.158 177.49 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.51 -0.571 0 N-CA-C 107.304 -1.369 . . . . 10.0 107.304 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -95.53 -6.82 39.63 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 123.683 0.614 . . . . 10.0 110.598 173.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.4 -49.19 78.75 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 119.393 0.997 . . . . 10.0 112.995 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -47.02 -32.15 3.76 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.665 0.987 . . . . 10.0 113.665 174.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -90.97 -40.9 11.42 Favored 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 125.34 1.456 . . . . 10.0 109.212 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -35.9 59.97 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.782 1.628 . . . . 10.0 109.374 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.9 -40.86 65.19 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 123.812 0.695 . . . . 10.0 109.978 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.0 -45.29 82.08 Favored 'General case' 0 C--O 1.2 -1.526 0 O-C-N 121.743 -0.598 . . . . 10.0 110.42 176.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -60.58 -53.25 59.76 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 125.002 1.321 . . . . 10.0 112.255 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.36 -54.27 47.67 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 122.759 1.266 . . . . 10.0 110.373 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.4 m -63.28 -45.36 91.8 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 124.339 1.055 . . . . 10.0 110.743 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.51 ' HG ' ' HG ' ' A' ' 30' ' ' CYS . 46.9 t -55.75 -49.02 74.22 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.168 -1.049 . . . . 10.0 108.168 173.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -51.69 -38.17 53.86 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 119.091 0.86 . . . . 10.0 112.201 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -55.97 -68.39 0.21 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 123.727 0.811 . . . . 10.0 112.127 173.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -61.24 -14.2 24.16 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.499 1.142 . . . . 10.0 112.531 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.7 t -81.28 -66.1 0.93 Allowed 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 120.36 -1.462 . . . . 10.0 110.046 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -25.7 7.84 Favored 'General case' 0 C--O 1.224 -0.253 0 O-C-N 120.547 -1.346 . . . . 10.0 111.958 175.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -51.0 -37.52 45.59 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.999 1.32 . . . . 10.0 110.595 171.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.25 -11.9 4.68 Favored 'General case' 0 C--N 1.343 0.302 0 O-C-N 120.666 -1.271 . . . . 10.0 112.285 176.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.12 16.8 71.08 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 126.842 2.163 . . . . 10.0 111.182 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -79.4 176.91 9.26 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 122.675 1.226 . . . . 10.0 111.476 178.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.19 143.81 27.75 Favored Glycine 0 C--N 1.333 0.402 0 N-CA-C 111.013 -0.835 . . . . 10.0 111.013 174.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.427 ' CG ' ' N ' ' A' ' 24' ' ' THR . 11.5 p90 -48.41 -46.73 37.73 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 124.505 1.122 . . . . 10.0 112.071 175.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -58.1 -62.08 2.08 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 124.918 1.287 . . . . 10.0 111.773 -178.297 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.442 ' N ' HG22 ' A' ' 24' ' ' THR . 32.7 t80 -53.18 -44.51 67.96 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.549 176.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.2 -37.24 79.65 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 118.431 -0.795 . . . . 10.0 111.137 176.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.69 -66.94 0.48 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 126.194 1.798 . . . . 10.0 111.436 176.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.4 ttp -49.61 -27.35 4.45 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.937 0.895 . . . . 10.0 111.707 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.41 -63.19 1.45 Allowed 'General case' 0 C--O 1.21 -0.981 0 CA-C-O 116.384 -1.77 . . . . 10.0 111.394 174.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.51 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 44.6 m -44.1 -28.54 0.5 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.508 1.923 . . . . 10.0 111.915 176.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.1 -62.3 1.87 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 122.812 1.291 . . . . 10.0 110.065 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.38 -17.71 60.78 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.44 177.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -56.44 -68.73 0.19 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.09 1.356 . . . . 10.0 110.896 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.5 t -75.2 62.99 1.28 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 122.061 0.934 . . . . 10.0 110.554 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.4 153.42 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 126.748 2.019 . . . . 10.0 110.658 -176.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.6 t -80.75 -177.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 119.572 -1.955 . . . . 10.0 109.295 174.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.641 ' H ' HG12 ' A' ' 36' ' ' VAL . 1.5 pttp -171.26 -166.63 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 124.385 1.074 . . . . 10.0 109.79 178.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -108.75 117.35 33.96 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 123.992 0.917 . . . . 10.0 109.275 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.1 p -120.07 56.85 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 C-N-CA 123.266 0.626 . . . . 10.0 109.536 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -44.67 96.3 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 122.74 0.416 . . . . 10.0 111.014 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.24 34.66 2.48 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 123.748 1.737 . . . . 10.0 108.496 -174.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -106.87 36.65 2.58 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 114.683 -1.144 . . . . 10.0 110.128 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.34 153.37 0.51 Allowed 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 124.122 0.889 . . . . 10.0 110.192 177.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -162.83 126.48 2.91 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.062 -0.718 . . . . 10.0 109.062 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -67.03 169.67 7.99 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 122.382 1.087 . . . . 10.0 110.815 175.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -131.1 143.55 50.74 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.253 -0.885 . . . . 10.0 108.886 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.2 -58.87 0.0 OUTLIER Pre-proline 0 N--CA 1.463 0.214 0 C-N-CA 125.666 1.586 . . . . 10.0 111.652 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -74.23 58.27 4.28 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.771 2.981 . . . . 10.0 110.762 176.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -69.15 0.15 Allowed 'General case' 0 C--N 1.343 0.305 0 C-N-CA 123.845 0.858 . . . . 10.0 111.671 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 . . . . . 0 C--O 1.245 0.85 0 CA-C-O 116.79 -1.576 . . . . 10.0 110.461 172.248 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.6 p30 . . . . . 0 N--CA 1.487 1.423 0 N-CA-C 110.044 -0.354 . . . . 10.0 110.044 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -19.3 59.97 Favored 'General case' 0 C--O 1.208 -1.131 0 O-C-N 121.82 -0.55 . . . . 10.0 110.546 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.63 -49.93 61.27 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-O 117.542 -1.218 . . . . 10.0 113.579 173.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -47.71 -32.66 6.03 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 114.004 1.112 . . . . 10.0 114.004 173.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -87.39 -43.31 12.2 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 125.446 1.498 . . . . 10.0 113.073 171.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -56.88 -30.1 63.58 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 120.762 1.619 . . . . 10.0 111.542 176.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -78.77 -38.42 38.65 Favored 'General case' 0 C--O 1.21 -0.979 0 C-N-CA 123.791 0.836 . . . . 10.0 110.316 174.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.25 -41.36 77.04 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-O 117.242 -1.361 . . . . 10.0 110.646 175.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.402 ' CE1' ' HG2' ' A' ' 27' ' ' GLU . 26.8 t80 -63.45 -52.01 63.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 121.29 1.859 . . . . 10.0 111.399 177.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.48 -51.38 68.92 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 122.081 0.943 . . . . 10.0 110.161 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.7 m -65.77 -44.6 85.37 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.739 0.816 . . . . 10.0 111.511 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.633 ' HG ' ' HG ' ' A' ' 30' ' ' CYS . 42.0 t -57.35 -46.87 82.88 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.405 -0.961 . . . . 10.0 108.405 174.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.457 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.6 t-80 -54.23 -37.45 64.63 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 117.548 -1.215 . . . . 10.0 111.823 176.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -56.15 -70.06 0.13 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 117.529 -1.224 . . . . 10.0 112.273 172.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.87 -17.63 25.75 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 123.738 1.732 . . . . 10.0 113.13 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.2 t -77.49 -67.06 0.76 Allowed 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 119.225 -2.172 . . . . 10.0 110.905 176.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -22.8 32.7 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-O 117.094 -1.432 . . . . 10.0 111.503 177.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -50.91 -41.26 58.42 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.952 1.301 . . . . 10.0 111.882 167.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -12.84 1.32 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 114.494 1.294 . . . . 10.0 114.494 174.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.03 20.43 67.69 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 127.024 2.25 . . . . 10.0 109.24 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -75.13 177.76 6.2 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 123.383 1.563 . . . . 10.0 112.239 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.04 131.65 12.63 Favored Glycine 0 C--O 1.224 -0.521 0 O-C-N 120.946 -1.096 . . . . 10.0 110.617 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.75 -56.95 2.04 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 126.103 1.761 . . . . 10.0 112.806 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -51.3 -58.04 7.26 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 125.913 1.685 . . . . 10.0 111.394 177.657 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.42 ' N ' HG22 ' A' ' 24' ' ' THR . 50.5 t80 -54.09 -45.2 71.75 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 123.12 0.568 . . . . 10.0 110.908 177.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -58.43 -38.48 77.55 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 118.125 -0.941 . . . . 10.0 112.842 174.39 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.402 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -66.45 -66.77 0.51 Allowed 'General case' 0 C--O 1.213 -0.856 0 CA-C-O 116.469 -1.729 . . . . 10.0 111.702 174.581 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -29.08 4.03 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.277 1.399 . . . . 10.0 113.055 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.18 -63.1 1.5 Allowed 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 113.69 -3.052 . . . . 10.0 113.051 172.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.633 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 66.3 m -46.9 -27.54 1.29 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.129 1.771 . . . . 10.0 113.174 173.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -61.06 -62.41 1.87 Allowed 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 125.465 1.506 . . . . 10.0 111.306 172.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.414 ' HA ' ' HB2' ' A' ' 35' ' ' SER . 1.4 m -72.29 -24.05 61.28 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.013 -0.994 . . . . 10.0 112.161 177.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.436 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 20.2 t70 -55.65 -72.52 0.07 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.385 1.474 . . . . 10.0 109.578 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.517 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.5 t -85.31 46.43 1.29 Allowed 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.135 176.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.414 ' HB2' ' HA ' ' A' ' 32' ' ' THR . 24.5 t -73.84 72.3 1.55 Allowed 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 123.35 1.548 . . . . 10.0 110.3 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.659 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.5 t -76.45 -175.7 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-O 122.812 1.292 . . . . 10.0 108.207 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.659 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -162.28 100.26 1.07 Allowed 'General case' 0 C--N 1.32 -0.675 0 O-C-N 120.861 -1.149 . . . . 10.0 110.118 179.57 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -157.9 121.64 4.07 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 107.606 -1.257 . . . . 10.0 107.606 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 39' ' ' VAL . 2.6 p -127.19 37.43 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-O 121.588 0.709 . . . . 10.0 110.842 178.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -43.35 125.11 3.69 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.921 0.867 . . . . 10.0 110.711 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 121.02 14.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 106.418 -1.697 . . . . 10.0 106.418 -175.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 60.24 0.2 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.886 0.874 . . . . 10.0 112.245 174.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.42 138.5 1.18 Allowed 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.58 1.552 . . . . 10.0 107.802 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -170.73 63.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 O-C-N 124.442 1.089 . . . . 10.0 110.475 174.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.3 143.35 0.51 Allowed 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 120.237 -1.539 . . . . 10.0 109.564 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -173.68 107.35 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -163.46 81.74 1.49 Allowed Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -70.78 162.46 42.5 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.941 1.761 . . . . 10.0 109.672 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.37 134.14 15.3 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.81 0.844 . . . . 10.0 110.66 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 . . . . . 0 C--O 1.252 1.232 0 CA-C-O 114.546 -2.645 . . . . 10.0 110.501 -174.394 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 119.936 -0.078 . . . . 10.0 110.87 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 66.07 -76.29 0.05 OUTLIER 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 123.601 0.76 . . . . 10.0 112.294 -177.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.12 -47.34 34.63 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 125.155 1.382 . . . . 10.0 112.345 176.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -47.35 -33.0 5.35 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.819 1.044 . . . . 10.0 113.819 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -88.42 -42.55 12.09 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 126.3 1.84 . . . . 10.0 110.497 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -29.91 61.23 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.924 1.693 . . . . 10.0 111.654 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.12 -36.14 48.27 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 123.7 0.8 . . . . 10.0 111.063 174.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -70.33 -43.29 70.57 Favored 'General case' 0 C--O 1.196 -1.716 0 CA-C-N 119.298 0.954 . . . . 10.0 110.014 175.464 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -62.18 -51.9 65.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 120.943 1.701 . . . . 10.0 111.577 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.12 -52.6 64.21 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 122.071 0.939 . . . . 10.0 110.052 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.4 m -64.93 -45.6 85.15 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.536 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 8' ' ' CYS . 10.5 t -56.91 -45.27 82.77 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 124.414 1.086 . . . . 10.0 108.105 175.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.414 ' HA ' ' SG ' ' A' ' 30' ' ' CYS . 3.2 t-80 -53.68 -39.74 65.39 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 123.859 0.863 . . . . 10.0 111.852 174.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -64.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 119.152 0.887 . . . . 10.0 112.538 174.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -63.9 -11.83 31.43 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 122.554 1.169 . . . . 10.0 112.264 173.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.4 t -82.78 -62.21 1.66 Allowed 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 119.347 -2.095 . . . . 10.0 110.183 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.19 -25.04 8.16 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 125.152 1.381 . . . . 10.0 111.52 175.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -50.73 -36.36 36.04 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.022 0.929 . . . . 10.0 112.61 169.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -12.59 4.61 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 121.02 -1.05 . . . . 10.0 113.339 174.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.65 15.46 77.84 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 126.643 2.068 . . . . 10.0 110.437 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -78.12 177.97 7.92 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.625 1.202 . . . . 10.0 111.712 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.52 146.59 27.47 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.456 -0.793 . . . . 10.0 111.521 174.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.426 ' CG ' ' N ' ' A' ' 24' ' ' THR . 11.5 p90 -49.53 -47.9 48.6 Favored 'General case' 0 C--O 1.207 -1.145 0 CA-C-O 117.666 -1.159 . . . . 10.0 110.687 176.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -59.13 -59.61 5.18 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.141 0.977 . . . . 10.0 110.843 -176.185 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.427 ' N ' HG22 ' A' ' 24' ' ' THR . 47.9 t80 -54.62 -48.78 71.81 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.915 -0.491 . . . . 10.0 110.203 178.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.38 -34.17 72.09 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-O 117.964 -1.017 . . . . 10.0 111.489 175.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -66.33 0.56 Allowed 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 126.815 2.046 . . . . 10.0 109.55 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mtp -53.8 -29.95 42.78 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.031 0.443 . . . . 10.0 111.965 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -62.95 1.42 Allowed 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 116.684 -1.627 . . . . 10.0 111.352 177.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 64.0 m -45.34 -28.47 0.85 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.226 1.81 . . . . 10.0 111.325 173.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -59.65 -61.58 2.52 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.514 1.126 . . . . 10.0 111.339 173.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -72.42 -22.73 61.06 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.688 177.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -53.98 -73.11 0.05 Allowed 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.758 1.223 . . . . 10.0 109.473 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.9 t -81.99 51.26 1.71 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.615 0.721 . . . . 10.0 109.533 -176.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.82 51.92 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 126.523 1.929 . . . . 10.0 109.691 -175.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.624 HG22 ' H ' ' A' ' 37' ' ' LYS . 1.3 p -58.24 -171.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 123.625 1.679 . . . . 10.0 110.142 175.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.624 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -173.43 -35.6 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 O-C-N 120.383 -1.448 . . . . 10.0 111.125 174.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -161.15 154.6 21.73 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.761 1.288 . . . . 10.0 109.583 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.0 t -148.46 78.16 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 107.155 -1.424 . . . . 10.0 107.155 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.62 135.02 11.91 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.47 -0.567 . . . . 10.0 109.47 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.39 144.21 37.13 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 121.414 0.626 . . . . 10.0 110.319 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 78.01 1.15 Allowed 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.7 150.97 2.56 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 123.824 0.849 . . . . 10.0 108.757 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -135.08 158.13 45.15 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.859 0.838 . . . . 10.0 109.835 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -148.05 127.44 13.1 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -166.05 175.36 8.56 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.219 0.533 . . . . 10.0 110.176 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.2 81.33 10.37 Favored Pre-proline 0 CA--C 1.531 0.246 0 C-N-CA 123.868 0.867 . . . . 10.0 110.358 174.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -69.94 159.22 54.07 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 121.822 1.681 . . . . 10.0 110.225 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -52.14 152.1 3.44 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.284 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 C--O 1.254 1.319 0 CA-C-O 116.702 -1.618 . . . . 10.0 111.802 174.802 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.76 -55.15 1.72 Allowed 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 125.029 1.332 . . . . 10.0 109.762 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.15 -40.82 71.05 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 113.961 1.097 . . . . 10.0 113.961 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -48.84 -34.42 12.47 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.524 1.13 . . . . 10.0 113.532 172.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -88.23 -45.99 9.61 Favored 'General case' 0 C--O 1.213 -0.843 0 C-N-CA 127.673 2.389 . . . . 10.0 109.422 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -55.39 -32.38 62.59 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.6 1.545 . . . . 10.0 110.826 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -75.95 -37.43 58.66 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 118.037 -0.982 . . . . 10.0 111.117 175.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.28 -43.46 73.82 Favored 'General case' 0 C--O 1.199 -1.581 0 CA-C-O 117.667 -1.159 . . . . 10.0 109.911 175.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -61.83 -52.87 62.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 120.977 1.717 . . . . 10.0 111.881 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -61.16 -51.58 68.46 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 122.778 1.275 . . . . 10.0 110.593 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.4 m -65.71 -44.57 85.69 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.399 -0.819 . . . . 10.0 111.135 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -57.4 -46.44 83.46 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 108.025 -1.102 . . . . 10.0 108.025 173.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -54.12 -36.13 62.91 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 119.802 1.183 . . . . 10.0 112.436 176.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -68.95 0.22 Allowed 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 117.888 -1.053 . . . . 10.0 112.333 173.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -19.92 28.3 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 122.592 1.187 . . . . 10.0 113.287 174.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.8 t -77.29 -65.33 0.97 Allowed 'General case' 0 N--CA 1.441 -0.922 0 O-C-N 119.945 -1.722 . . . . 10.0 111.047 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -21.3 48.28 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.814 1.246 . . . . 10.0 111.677 176.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -53.51 -36.6 61.91 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.692 1.597 . . . . 10.0 111.841 168.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -11.87 3.31 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 114.091 1.145 . . . . 10.0 114.091 173.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.94 18.21 70.47 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 127.102 2.287 . . . . 10.0 111.122 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -77.1 176.87 8.29 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 123.088 1.423 . . . . 10.0 112.093 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.25 148.96 38.3 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-N 115.381 -0.827 . . . . 10.0 112.241 173.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -56.16 -56.05 25.66 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-O 117.315 -1.326 . . . . 10.0 111.821 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -57.64 8.35 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 126.167 1.787 . . . . 10.0 111.519 178.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -53.82 -47.8 70.53 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 119.169 -0.443 . . . . 10.0 110.759 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.0 -38.13 78.47 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 118.341 -0.838 . . . . 10.0 112.618 175.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -67.87 0.41 Allowed 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 126.914 2.085 . . . . 10.0 111.165 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -29.15 3.76 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.249 1.42 . . . . 10.0 112.65 178.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.8 -62.11 1.79 Allowed 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 115.267 -2.301 . . . . 10.0 113.02 172.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 58.8 m -47.65 -27.8 2.08 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.681 1.992 . . . . 10.0 113.153 173.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -61.9 -63.3 1.3 Allowed 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 126.124 1.769 . . . . 10.0 110.295 173.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.75 -23.2 61.57 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 118.438 -0.791 . . . . 10.0 112.391 177.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 12.1 t70 -55.64 -70.31 0.11 Allowed 'General case' 0 C--O 1.236 0.358 0 C-N-CA 126.501 1.92 . . . . 10.0 109.74 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.4 m -81.35 47.96 1.1 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.569 0.699 . . . . 10.0 110.378 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.14 91.23 1.25 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.956 1.302 . . . . 10.0 107.885 -179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.614 HG22 ' H ' ' A' ' 37' ' ' LYS . 1.4 p -59.69 -171.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 123.78 1.752 . . . . 10.0 111.307 174.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.614 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -160.05 93.77 1.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 120.536 -1.353 . . . . 10.0 110.328 175.695 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -150.49 122.83 8.4 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -134.37 77.46 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 106.321 -1.733 . . . . 10.0 106.321 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.93 125.82 5.37 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.24 0.616 . . . . 10.0 109.987 176.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -57.44 148.32 23.77 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 108.959 -0.756 . . . . 10.0 108.959 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -69.54 83.32 0.42 Allowed 'General case' 0 C--O 1.226 -0.158 0 N-CA-C 108.039 -1.097 . . . . 10.0 108.039 175.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.06 140.67 8.92 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 124.737 1.273 . . . . 10.0 109.149 178.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.35 -54.12 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.611 0 O-C-N 123.945 0.778 . . . . 10.0 111.008 -176.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.3 p-10 -39.9 131.09 1.96 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 122.83 1.3 . . . . 10.0 113.138 174.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -170.94 161.91 7.16 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 121.25 -0.907 . . . . 10.0 108.84 -174.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.72 154.35 49.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.446 -0.797 . . . . 10.0 111.124 174.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -71.71 -178.6 3.16 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 122.59 2.193 . . . . 10.0 111.471 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HE3' ' OD1' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -135.45 -63.18 0.68 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 117.724 -1.131 . . . . 10.0 110.7 177.194 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.429 ' OD1' ' HE3' ' A' ' 49' ' ' LYS . 42.4 p-10 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 114.85 -2.5 . . . . 10.0 113.477 -177.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 CA--C 1.499 -0.99 0 N-CA-C 108.195 -1.039 . . . . 10.0 108.195 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.14 -10.74 46.11 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 124.483 1.114 . . . . 10.0 111.767 171.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.1 82.83 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 120.282 1.401 . . . . 10.0 112.377 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -48.14 -31.83 6.16 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.402 0.89 . . . . 10.0 113.402 173.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -88.08 -43.16 11.89 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 124.877 1.271 . . . . 10.0 113.689 172.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -30.11 65.19 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 125.045 1.338 . . . . 10.0 111.949 175.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -77.55 -36.42 52.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 117.7 -1.143 . . . . 10.0 111.566 172.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -42.4 72.56 Favored 'General case' 0 C--O 1.194 -1.825 0 CA-C-O 117.049 -1.453 . . . . 10.0 110.473 174.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -62.64 -51.68 66.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 121.769 2.077 . . . . 10.0 111.792 177.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.46 -51.86 66.92 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.391 1.091 . . . . 10.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.2 m -66.8 -43.98 82.45 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.13 0.972 . . . . 10.0 110.992 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.549 ' HG ' ' HG ' ' A' ' 30' ' ' CYS . 45.6 t -57.25 -45.53 83.9 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 123.591 0.756 . . . . 10.0 109.106 173.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -54.38 -38.68 66.41 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 117.468 -1.253 . . . . 10.0 112.616 174.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -54.35 -65.88 0.5 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.058 -0.972 . . . . 10.0 112.492 172.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.49 -12.22 30.12 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 123.47 1.605 . . . . 10.0 113.219 174.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 t -81.99 -63.61 1.35 Allowed 'General case' 0 N--CA 1.443 -0.788 0 O-C-N 118.962 -2.336 . . . . 10.0 111.365 176.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -23.98 9.22 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 116.743 -1.599 . . . . 10.0 112.016 174.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -50.94 -36.4 38.49 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.053 1.341 . . . . 10.0 112.942 167.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -11.86 3.91 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 114.071 1.137 . . . . 10.0 114.071 173.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.24 16.05 77.21 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 126.724 2.107 . . . . 10.0 110.74 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -77.04 176.9 8.24 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 122.999 1.381 . . . . 10.0 112.346 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.87 144.26 28.63 Favored Glycine 0 C--N 1.329 0.164 0 CA-C-N 115.274 -0.876 . . . . 10.0 111.597 173.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -47.25 -48.61 24.45 Favored 'General case' 0 C--O 1.211 -0.952 0 C-N-CA 125.205 1.402 . . . . 10.0 110.573 175.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -57.32 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 124.227 1.011 . . . . 10.0 110.935 -175.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -57.7 -43.68 85.36 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.638 0.732 . . . . 10.0 111.262 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -36.05 79.91 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 117.447 -1.263 . . . . 10.0 112.761 173.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -65.85 0.63 Allowed 'General case' 0 CA--C 1.506 -0.739 0 C-N-CA 127.499 2.32 . . . . 10.0 109.437 177.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.2 ptm -51.72 -37.33 50.52 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.703 0.764 . . . . 10.0 112.174 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -71.63 -59.32 2.82 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 115.911 -1.995 . . . . 10.0 110.809 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.549 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 31.2 m -46.1 -29.36 1.49 Allowed 'General case' 0 CA--C 1.536 0.421 0 O-C-N 125.245 1.591 . . . . 10.0 113.464 170.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -60.82 -61.62 2.45 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 125.342 1.457 . . . . 10.0 111.185 172.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -71.12 -26.62 63.1 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-O 117.633 -1.175 . . . . 10.0 111.869 177.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -52.98 -76.69 0.02 OUTLIER 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.093 1.357 . . . . 10.0 109.5 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -84.52 94.65 8.61 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 106.429 -1.693 . . . . 10.0 106.429 -178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -110.15 93.96 4.77 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 106.319 -1.734 . . . . 10.0 106.319 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.647 HG22 ' H ' ' A' ' 37' ' ' LYS . 1.4 p -57.72 -169.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 124.455 2.074 . . . . 10.0 111.331 174.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.647 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -152.19 -38.79 0.11 Allowed 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 120.527 -1.358 . . . . 10.0 112.889 172.333 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -52.33 129.63 28.83 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 125.671 1.857 . . . . 10.0 110.163 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.8 t -136.61 78.82 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.586 0 N-CA-C 105.596 -2.002 . . . . 10.0 105.596 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -48.81 -73.03 0.04 OUTLIER 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 123.335 0.654 . . . . 10.0 111.111 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.32 177.35 9.04 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 172.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -104.74 71.54 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.522 -1.288 . . . . 10.0 107.522 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.489 ' H ' HD12 ' A' ' 43' ' ' LEU . 5.3 mp -49.08 154.49 0.77 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.804 0.69 . . . . 10.0 110.395 174.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -167.4 177.56 5.96 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.129 -1.063 . . . . 10.0 108.129 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 65.42 94.44 0.06 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.65 1.18 . . . . 10.0 111.595 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -168.37 85.34 0.18 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 120.949 -1.094 . . . . 10.0 109.873 -173.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -174.77 81.54 0.33 Allowed Pre-proline 0 N--CA 1.47 0.572 0 O-C-N 121.614 -0.679 . . . . 10.0 109.852 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -69.67 130.97 20.39 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 N-CA-C 107.522 -1.761 . . . . 10.0 107.522 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.59 149.88 1.55 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.058 0.943 . . . . 10.0 110.871 176.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.258 1.505 0 CA-C-O 116.926 -1.511 . . . . 10.0 112.493 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.509 -0.631 0 CA-C-O 118.352 -0.832 . . . . 10.0 108.9 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.24 -41.51 97.02 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 118.262 0.483 . . . . 10.0 111.407 173.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.3 -43.69 98.45 Favored 'General case' 0 C--O 1.222 -0.381 0 O-C-N 121.395 -0.815 . . . . 10.0 112.011 -177.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.87 -32.82 6.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.507 1.123 . . . . 10.0 112.269 172.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.407 ' CE2' ' O ' ' A' ' 34' ' ' CYS . 27.3 t80 -87.36 -45.07 10.89 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.291 1.036 . . . . 10.0 111.615 175.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -56.46 -33.81 66.27 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 118.941 0.791 . . . . 10.0 110.43 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -69.5 -44.19 71.59 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.767 0.827 . . . . 10.0 110.723 173.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -45.08 90.08 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 118.025 0.375 . . . . 10.0 110.223 178.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -60.82 -54.42 45.39 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 124.806 1.242 . . . . 10.0 112.137 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -60.25 -52.9 63.33 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 122.967 1.365 . . . . 10.0 110.866 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.5 m -64.79 -43.42 93.26 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.586 1.154 . . . . 10.0 112.001 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.0 t -58.67 -45.44 89.41 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 119.114 0.87 . . . . 10.0 108.687 172.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -54.71 -34.45 62.42 Favored 'General case' 0 C--O 1.222 -0.384 0 O-C-N 120.824 -1.173 . . . . 10.0 112.791 177.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -68.6 0.23 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.954 0.902 . . . . 10.0 111.729 172.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -62.02 -14.72 38.46 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 122.268 1.033 . . . . 10.0 112.654 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.0 t -81.33 -62.23 1.72 Allowed 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 120.214 -1.554 . . . . 10.0 111.017 175.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -25.47 37.81 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.37 -1.456 . . . . 10.0 112.433 175.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -51.8 -38.25 54.95 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.072 1.349 . . . . 10.0 111.259 169.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -10.1 4.76 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 118.266 -0.873 . . . . 10.0 112.956 176.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.63 18.59 77.3 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 127.066 2.269 . . . . 10.0 112.223 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -76.16 173.86 10.81 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 122.437 1.113 . . . . 10.0 111.341 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.54 130.77 23.62 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.107 -1.197 . . . . 10.0 110.107 173.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -39.56 -59.02 1.18 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.703 1.601 . . . . 10.0 112.884 174.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.93 -58.03 6.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.484 1.914 . . . . 10.0 111.67 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -52.98 -47.87 67.87 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.871 -0.518 . . . . 10.0 110.188 176.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -37.33 76.8 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-O 118.311 -0.852 . . . . 10.0 111.772 176.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -68.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 126.249 1.82 . . . . 10.0 110.194 175.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -33.53 17.24 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.826 0.85 . . . . 10.0 112.684 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.79 -56.64 4.56 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-O 118.51 -0.757 . . . . 10.0 111.769 176.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.7 m -49.04 -28.37 3.99 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.49 1.516 . . . . 10.0 113.248 172.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -61.93 -61.54 2.42 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.084 1.753 . . . . 10.0 110.179 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -71.54 -26.47 62.66 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.123 -0.944 . . . . 10.0 111.438 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -55.14 -72.5 0.07 Allowed 'General case' 0 C--O 1.235 0.332 0 C-N-CA 125.514 1.525 . . . . 10.0 111.1 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.407 ' O ' ' CE2' ' A' ' 5' ' ' PHE . 3.2 t -86.36 91.15 8.41 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 107.522 -1.288 . . . . 10.0 107.522 177.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.2 123.3 13.65 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 122.466 1.127 . . . . 10.0 109.321 176.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.6 HG22 ' H ' ' A' ' 37' ' ' LYS . 1.4 p -60.15 -170.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 123.091 1.424 . . . . 10.0 110.452 174.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.6 ' H ' HG22 ' A' ' 36' ' ' VAL . 1.5 ttmt -145.93 159.58 43.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.145 -0.934 . . . . 10.0 111.586 175.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.42 120.2 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.825 1.25 . . . . 10.0 108.944 176.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.2 t -133.44 80.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 105.61 -1.996 . . . . 10.0 105.61 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.66 131.3 21.55 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.8 174.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -117.85 38.03 3.77 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 124.139 1.923 . . . . 10.0 111.153 -176.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -133.3 62.28 1.66 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.72 -1.127 . . . . 10.0 108.961 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.67 152.95 0.88 Allowed 'General case' 0 CA--C 1.533 0.303 0 O-C-N 124.942 1.402 . . . . 10.0 109.997 176.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -71.96 162.24 29.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.159 0.98 . . . . 10.0 111.221 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -136.22 158.64 43.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.919 0.866 . . . . 10.0 109.217 176.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -142.22 173.09 11.84 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.844 -1.071 . . . . 10.0 109.707 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.05 152.32 46.5 Favored Pre-proline 0 C--N 1.327 -0.384 0 C-N-CA 124.298 1.039 . . . . 10.0 111.073 177.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -68.35 168.5 19.33 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 122.04 1.827 . . . . 10.0 110.598 176.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.97 167.07 10.04 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.589 1.556 . . . . 10.0 109.054 174.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.29 1.436 . . . . 10.0 113.023 172.018 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 106.925 -1.509 . . . . 10.0 106.925 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.44 -80.36 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 118.919 0.781 . . . . 10.0 112.284 177.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.52 77.65 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 124.903 1.281 . . . . 10.0 112.779 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -33.17 12.91 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.922 0.868 . . . . 10.0 112.52 175.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.4 ' CE1' ' O ' ' A' ' 35' ' ' SER . 45.2 t80 -87.4 -39.89 14.88 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 124.86 1.264 . . . . 10.0 111.063 176.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -33.06 62.37 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.006 1.323 . . . . 10.0 110.954 177.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -71.25 -43.11 67.9 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 118.573 -0.727 . . . . 10.0 111.03 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.46 -44.28 87.72 Favored 'General case' 0 C--O 1.198 -1.608 0 CA-C-O 118.475 -0.774 . . . . 10.0 109.956 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -61.5 -52.8 62.99 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 125.506 1.522 . . . . 10.0 111.781 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.49 -50.79 71.3 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 122.577 1.18 . . . . 10.0 111.157 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.2 m -66.69 -43.89 83.21 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.998 1.319 . . . . 10.0 111.452 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 t -58.05 -47.65 82.48 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 107.798 -1.186 . . . . 10.0 107.798 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -53.37 -36.18 61.11 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 119.901 1.228 . . . . 10.0 112.519 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -69.61 0.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.21 -0.9 . . . . 10.0 112.254 172.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -58.71 -18.29 30.07 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 122.286 1.041 . . . . 10.0 112.382 174.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.7 t -79.14 -63.02 1.51 Allowed 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 119.419 -2.05 . . . . 10.0 110.545 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -23.87 33.06 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 120.352 -1.467 . . . . 10.0 112.115 175.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.4 -36.79 45.15 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.139 1.376 . . . . 10.0 111.482 169.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -10.88 4.96 Favored 'General case' 0 C--N 1.344 0.353 0 N-CA-C 112.989 0.737 . . . . 10.0 112.989 175.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.85 16.87 76.27 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 126.282 1.896 . . . . 10.0 111.519 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -78.27 175.64 10.02 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.709 1.242 . . . . 10.0 111.716 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.97 148.56 38.16 Favored Glycine 0 CA--C 1.521 0.464 0 CA-C-N 115.233 -0.894 . . . . 10.0 112.003 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -55.37 -57.24 12.67 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 124.917 1.287 . . . . 10.0 112.087 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.03 -57.15 8.21 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 125.774 1.63 . . . . 10.0 111.567 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -53.99 -49.24 69.27 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 122.741 0.416 . . . . 10.0 110.381 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -35.28 73.33 Favored 'General case' 0 C--O 1.204 -1.298 0 CA-C-O 118.552 -0.737 . . . . 10.0 112.045 176.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.85 -66.16 0.6 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 126.405 1.882 . . . . 10.0 111.318 177.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.34 -27.97 4.47 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.996 1.318 . . . . 10.0 112.188 176.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.65 -59.57 2.47 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-O 116.659 -1.639 . . . . 10.0 112.25 174.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 46.0 m -46.18 -28.66 1.3 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 126.48 1.912 . . . . 10.0 112.744 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -61.16 -64.57 0.91 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.003 1.321 . . . . 10.0 109.486 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -19.55 62.55 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 120.772 -1.205 . . . . 10.0 112.928 177.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -55.97 -72.81 0.07 Allowed 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 126.687 1.995 . . . . 10.0 109.112 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 t -67.12 -45.82 76.01 Favored 'General case' 0 N--CA 1.441 -0.902 0 O-C-N 124.418 1.074 . . . . 10.0 108.858 -177.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.4 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 3.5 t 159.48 104.71 0.0 OUTLIER 'General case' 0 C--N 1.345 0.383 0 C-N-CA 126.394 1.877 . . . . 10.0 112.76 -178.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.605 HG22 ' H ' ' A' ' 37' ' ' LYS . 2.0 p -57.82 -171.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 123.822 1.772 . . . . 10.0 110.528 178.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.605 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -156.05 120.98 4.7 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 120.263 -1.523 . . . . 10.0 109.935 175.054 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -138.39 126.26 22.46 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.801 -0.815 . . . . 10.0 108.801 179.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.7 t -150.12 81.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 106.56 -1.644 . . . . 10.0 106.56 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -49.62 -82.2 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.765 0.826 . . . . 10.0 112.128 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -159.14 155.33 27.03 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.43 -0.581 . . . . 10.0 109.43 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.73 62.57 3.79 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.827 -0.805 . . . . 10.0 108.827 176.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -46.39 138.54 5.56 Favored 'General case' 0 CA--C 1.528 0.122 0 O-C-N 124.338 1.024 . . . . 10.0 109.805 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.58 155.6 1.79 Allowed 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.657 -1.238 . . . . 10.0 107.657 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 58.91 147.5 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 122.883 1.325 . . . . 10.0 112.704 -175.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -171.27 100.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 120.697 -1.252 . . . . 10.0 109.67 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -164.67 71.04 1.52 Allowed Pre-proline 0 C--O 1.235 0.342 0 O-C-N 120.788 -1.195 . . . . 10.0 110.179 176.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -65.46 134.08 37.17 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 121.824 1.683 . . . . 10.0 108.663 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -53.3 156.03 2.52 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 118.594 -0.717 . . . . 10.0 109.849 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.2 t30 . . . . . 0 C--O 1.254 1.308 0 CA-C-O 115.108 -2.377 . . . . 10.0 109.768 174.781 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 108.292 -1.003 . . . . 10.0 108.292 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.83 117.43 15.92 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 124.973 1.309 . . . . 10.0 108.751 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 174.85 -93.79 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.922 0.889 . . . . 10.0 110.099 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -26.54 22.22 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 122.256 1.027 . . . . 10.0 112.137 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -86.28 -45.92 10.81 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 124.568 1.147 . . . . 10.0 112.491 174.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -30.63 65.36 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 118.365 0.529 . . . . 10.0 111.379 176.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -77.81 -34.71 51.98 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 118.115 -0.945 . . . . 10.0 111.794 174.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -72.0 -42.41 66.45 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-O 118.198 -0.906 . . . . 10.0 110.305 175.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -62.5 -52.02 65.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 120.091 1.314 . . . . 10.0 111.634 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -61.93 -50.84 70.56 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 122.061 0.934 . . . . 10.0 110.568 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.3 m -65.43 -46.0 81.65 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.41 -0.814 . . . . 10.0 110.837 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.32 -46.66 79.77 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 108.244 -1.021 . . . . 10.0 108.244 174.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -53.17 -38.29 62.66 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 119.186 0.903 . . . . 10.0 112.015 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -56.92 -69.27 0.16 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 117.927 -1.035 . . . . 10.0 112.114 174.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.27 -17.14 26.07 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 122.913 1.339 . . . . 10.0 112.777 174.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.8 t -78.13 -67.8 0.7 Allowed 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 119.642 -1.911 . . . . 10.0 110.601 176.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -23.55 18.82 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.048 -1.033 . . . . 10.0 111.205 176.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -52.33 -36.03 52.31 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.073 1.349 . . . . 10.0 111.737 170.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -12.06 5.92 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 113.376 0.88 . . . . 10.0 113.376 174.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.78 18.57 67.63 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.903 1.715 . . . . 10.0 110.661 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -77.75 177.65 7.98 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 122.891 1.329 . . . . 10.0 111.958 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.2 149.78 36.22 Favored Glycine 0 C--N 1.331 0.292 0 CA-C-N 115.309 -0.859 . . . . 10.0 112.065 173.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -54.27 -57.7 10.2 Favored 'General case' 0 CA--C 1.512 -0.514 0 C-N-CA 124.619 1.168 . . . . 10.0 111.038 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.99 -57.94 7.31 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 124.991 1.316 . . . . 10.0 111.244 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -53.68 -47.6 70.27 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 119.454 -0.308 . . . . 10.0 110.565 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.72 -36.54 74.44 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 118.469 -0.777 . . . . 10.0 112.431 175.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -68.75 0.35 Allowed 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 125.909 1.684 . . . . 10.0 110.826 176.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.2 mtt -47.99 -29.64 3.62 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.487 1.04 . . . . 10.0 112.469 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -64.37 1.18 Allowed 'General case' 0 C--O 1.214 -0.789 0 CA-C-O 115.468 -2.206 . . . . 10.0 112.264 174.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . 65.4 m -47.26 -29.4 2.41 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.621 1.568 . . . . 10.0 112.654 174.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -61.15 -62.25 1.98 Allowed 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 125.187 1.395 . . . . 10.0 110.694 174.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -70.58 -25.14 62.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.614 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 22.4 t70 -54.44 -73.5 0.05 OUTLIER 'General case' 0 C--O 1.233 0.203 0 C-N-CA 125.663 1.585 . . . . 10.0 109.565 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.55 94.98 10.07 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 108.019 -1.104 . . . . 10.0 108.019 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -154.89 120.81 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 122.022 0.915 . . . . 10.0 109.155 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.636 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.5 t -74.92 -177.49 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 122.296 1.046 . . . . 10.0 109.672 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.636 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -85.41 -176.54 6.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.389 -0.819 . . . . 10.0 111.222 175.06 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -107.4 161.82 14.48 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.219 1.008 . . . . 10.0 109.968 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.5 t -155.12 92.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 106.267 -1.753 . . . . 10.0 106.267 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -47.24 134.62 11.05 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.188 0.595 . . . . 10.0 109.572 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -88.82 36.47 0.81 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 123.575 1.655 . . . . 10.0 109.96 -178.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.1 -175.79 5.1 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 120.212 -1.555 . . . . 10.0 109.859 178.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.548 HD12 ' H ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -164.2 157.37 17.85 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 177.747 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.548 ' H ' HD12 ' A' ' 43' ' ' LEU . 27.1 mp0 -76.6 165.82 24.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 123.502 1.62 . . . . 10.0 113.321 173.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -103.13 -171.8 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 120.418 -1.426 . . . . 10.0 110.708 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -147.42 147.41 30.21 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.861 -1.063 . . . . 10.0 109.364 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.44 85.38 58.66 Favored Pre-proline 0 CA--C 1.53 0.185 0 C-N-CA 123.402 0.681 . . . . 10.0 109.55 177.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -70.24 150.47 65.32 Favored 'Trans proline' 0 N--CA 1.449 -1.113 0 C-N-CA 121.863 1.709 . . . . 10.0 110.098 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -74.97 0.09 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.36 -0.836 . . . . 10.0 110.66 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 116.344 -1.789 . . . . 10.0 111.104 174.373 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 64.89 103.24 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 127.354 2.262 . . . . 10.0 113.405 176.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.01 -94.79 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.579 -1.326 . . . . 10.0 110.528 -174.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -53.04 -29.22 28.54 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.221 1.408 . . . . 10.0 113.328 175.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -79.93 -50.9 9.78 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 125.334 1.454 . . . . 10.0 113.075 170.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -57.86 -31.7 66.95 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.382 0.673 . . . . 10.0 111.944 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -73.0 -41.03 64.71 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 124.383 1.073 . . . . 10.0 112.766 170.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 t -65.32 -44.83 86.6 Favored 'General case' 0 C--O 1.206 -1.184 0 CA-C-N 118.67 0.668 . . . . 10.0 110.684 174.434 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -60.53 -54.41 45.84 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.766 1.226 . . . . 10.0 112.688 177.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -61.06 -51.56 68.67 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 122.084 0.945 . . . . 10.0 110.892 -179.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -66.5 -41.6 88.63 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.676 1.19 . . . . 10.0 112.495 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.5 t -60.26 -43.83 95.81 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.882 -0.784 . . . . 10.0 108.882 170.363 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -56.73 -31.27 64.38 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.102 -1.624 . . . . 10.0 114.129 175.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -60.97 -69.17 0.25 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.592 1.157 . . . . 10.0 111.483 170.343 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -60.39 -16.6 37.21 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 122.403 1.097 . . . . 10.0 113.346 175.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.8 t -79.81 -60.14 2.46 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 119.535 -1.978 . . . . 10.0 112.674 174.071 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -23.95 65.54 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.958 -1.089 . . . . 10.0 111.868 175.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -50.61 -40.15 52.02 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.666 1.986 . . . . 10.0 112.166 166.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -8.34 1.22 Allowed 'General case' 0 C--N 1.346 0.414 0 N-CA-C 114.589 1.329 . . . . 10.0 114.589 173.424 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.46 17.6 75.57 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 127.466 2.46 . . . . 10.0 112.711 -179.601 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -76.94 172.01 13.85 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 122.888 1.328 . . . . 10.0 112.425 177.301 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.62 148.37 40.12 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 115.114 -0.948 . . . . 10.0 111.832 174.138 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.91 -56.11 18.32 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.279 1.431 . . . . 10.0 112.469 178.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -53.69 -54.73 33.83 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.128 2.171 . . . . 10.0 112.242 178.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -54.07 -49.68 68.48 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 122.535 0.334 . . . . 10.0 110.538 174.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.56 -35.31 75.74 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 113.453 0.909 . . . . 10.0 113.453 175.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.28 -68.37 0.36 Allowed 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 125.731 1.613 . . . . 10.0 109.973 174.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -27.93 6.83 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.609 1.564 . . . . 10.0 112.758 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -79.91 -57.73 3.5 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 117.784 -1.103 . . . . 10.0 113.624 173.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.8 m -52.41 -29.41 24.15 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.816 2.046 . . . . 10.0 114.836 171.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -59.68 -66.08 0.57 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 128.442 2.697 . . . . 10.0 109.903 171.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 m -68.72 -25.76 64.92 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 118.086 -0.959 . . . . 10.0 112.201 178.326 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -56.22 -74.71 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.872 1.669 . . . . 10.0 110.029 176.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -91.93 80.11 5.22 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.899 -1.046 . . . . 10.0 108.314 -178.363 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 t -162.34 127.51 3.34 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 122.395 1.093 . . . . 10.0 110.377 179.112 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.565 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.4 t -73.42 -178.38 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 122.577 1.18 . . . . 10.0 109.379 175.692 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.565 ' H ' HG12 ' A' ' 36' ' ' VAL . 17.7 pttt -107.01 162.18 14.07 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 124.421 1.088 . . . . 10.0 110.336 175.785 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -60.56 164.76 4.24 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.563 1.164 . . . . 10.0 111.468 171.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 t -137.05 65.46 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 124.495 1.118 . . . . 10.0 109.621 -177.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 173.72 84.58 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.639 1.576 . . . . 10.0 114.183 178.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -109.55 31.99 5.36 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 123.527 1.632 . . . . 10.0 111.806 -178.436 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.84 63.74 0.65 Allowed 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.321 1.048 . . . . 10.0 110.086 -179.369 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.36 139.72 6.24 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 114.36 -1.291 . . . . 10.0 110.143 174.781 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.15 130.85 45.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 179.064 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -175.67 139.87 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.331 1.052 . . . . 10.0 108.389 176.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -166.36 144.51 5.45 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 179.174 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.93 152.77 52.17 Favored Pre-proline 0 N--CA 1.469 0.481 0 CA-C-O 118.627 -0.701 . . . . 10.0 111.503 175.054 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -69.9 179.79 3.52 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.567 2.178 . . . . 10.0 110.67 176.062 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.65 146.01 49.91 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 125.29 1.436 . . . . 10.0 107.486 174.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.5 p30 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 113.37 -3.205 . . . . 10.0 111.403 169.319 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.213 -0.863 0 N-CA-C 107.999 -1.111 . . . . 10.0 107.999 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 172.48 -41.85 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.339 1.456 . . . . 10.0 109.593 -173.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.74 -47.17 74.18 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.562 0.696 . . . . 10.0 112.012 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -48.7 -31.5 6.94 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.446 1.276 . . . . 10.0 114.446 175.662 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -88.45 -43.02 11.76 Favored 'General case' 0 C--O 1.212 -0.908 0 C-N-CA 126.78 2.032 . . . . 10.0 110.654 173.171 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -56.54 -33.5 66.15 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 120.674 1.579 . . . . 10.0 111.066 177.242 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.26 -38.81 63.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 123.236 0.614 . . . . 10.0 112.232 174.007 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.7 -43.84 83.32 Favored 'General case' 0 C--O 1.205 -1.25 0 O-C-N 123.992 0.808 . . . . 10.0 111.164 174.337 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -62.1 -52.55 63.43 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.321 0.648 . . . . 10.0 111.989 178.363 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.57 -52.0 66.23 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.251 1.024 . . . . 10.0 110.215 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.5 m -64.64 -45.29 87.44 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.931 0.892 . . . . 10.0 111.925 -179.5 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.4 t -56.99 -48.16 79.11 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 108.194 -1.039 . . . . 10.0 108.194 173.036 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -52.46 -33.18 43.22 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.745 -1.222 . . . . 10.0 113.658 176.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -60.82 -68.81 0.27 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.646 1.216 . . . . 10.0 111.77 173.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -19.48 44.45 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 123.205 1.479 . . . . 10.0 113.278 174.604 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.0 t -77.49 -61.94 1.82 Allowed 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 119.621 -1.925 . . . . 10.0 112.552 175.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -21.27 61.27 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.308 -0.86 . . . . 10.0 112.188 176.527 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -53.7 -38.37 64.18 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.926 1.291 . . . . 10.0 111.97 168.357 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -7.9 2.51 Favored 'General case' 0 C--O 1.243 0.737 0 N-CA-C 114.18 1.178 . . . . 10.0 114.18 174.364 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.5 20.65 76.53 Favored Glycine 0 C--N 1.344 0.983 0 C-N-CA 126.128 1.823 . . . . 10.0 110.947 179.2 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -76.56 175.09 9.6 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 123.603 1.668 . . . . 10.0 111.307 177.856 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.62 131.37 18.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.077 -1.015 . . . . 10.0 110.717 173.437 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.37 -58.03 1.63 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.246 1.818 . . . . 10.0 112.901 176.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.74 -59.43 3.82 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 126.874 2.07 . . . . 10.0 111.198 176.503 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -52.8 -46.2 67.56 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 122.638 0.375 . . . . 10.0 110.605 177.531 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -36.21 76.63 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-O 118.045 -0.979 . . . . 10.0 113.154 175.158 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -68.3 0.38 Allowed 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.591 1.156 . . . . 10.0 110.541 174.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.4 ttp -47.01 -29.78 2.28 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.408 1.483 . . . . 10.0 111.799 179.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.89 -60.74 2.23 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-O 117.015 -1.469 . . . . 10.0 112.453 174.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.1 m -47.45 -27.58 1.78 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.737 1.615 . . . . 10.0 113.72 173.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -62.06 -63.17 1.33 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 126.244 1.818 . . . . 10.0 111.002 172.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -72.55 -21.76 61.11 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.232 -0.917 . . . . 10.0 111.604 177.214 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -56.01 -70.6 0.11 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.96 1.704 . . . . 10.0 109.991 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.1 38.63 0.54 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 123.303 1.525 . . . . 10.0 112.653 179.486 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.11 54.24 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.845 1.658 . . . . 10.0 110.406 -176.889 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.574 HG22 ' H ' ' A' ' 37' ' ' LYS . 1.0 OUTLIER -59.57 -174.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 119.729 -1.857 . . . . 10.0 111.097 175.077 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.574 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -159.2 169.64 23.7 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.27 -0.877 . . . . 10.0 110.207 176.473 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -152.53 122.86 7.19 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 178.328 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' ' 39' ' ' VAL . 5.9 p -122.36 52.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 123.69 0.796 . . . . 10.0 110.205 178.724 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -42.01 114.09 0.51 Allowed 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.55 0.74 . . . . 10.0 109.679 -177.508 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.32 121.41 10.09 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.41 1.694 . . . . 10.0 106.687 -175.839 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.59 125.12 5.57 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.313 -1.365 . . . . 10.0 107.313 -179.403 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 mt -51.78 127.17 20.04 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 -177.687 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -130.6 138.13 49.98 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.524 -1.288 . . . . 10.0 107.524 -174.42 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 178.35 -45.93 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.582 0.706 . . . . 10.0 110.583 178.584 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -41.4 126.37 2.79 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.338 1.855 . . . . 10.0 110.308 177.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.92 73.85 0.65 Allowed Pre-proline 0 CA--C 1.533 0.293 0 O-C-N 121.182 -0.949 . . . . 10.0 109.391 179.235 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -66.69 145.2 74.82 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 120.866 1.044 . . . . 10.0 109.756 176.446 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -179.99 1.37 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.501 0.72 . . . . 10.0 111.406 172.415 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.9 m120 . . . . . 0 C--O 1.272 2.268 0 C-N-CA 125.091 1.356 . . . . 10.0 112.257 173.625 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 CA--C 1.508 -0.647 0 N-CA-C 107.785 -1.191 . . . . 10.0 107.785 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -179.53 120.08 0.07 Allowed 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 -177.92 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 2' ' ' GLU . . . 168.93 -96.69 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.618 0 O-C-N 123.929 0.768 . . . . 10.0 110.941 179.396 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.44 -29.2 3.84 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.221 1.008 . . . . 10.0 111.708 176.497 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -86.44 -44.19 12.2 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 124.081 0.953 . . . . 10.0 111.175 175.519 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -56.96 -27.33 61.12 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 118.919 0.781 . . . . 10.0 111.579 175.709 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.97 -33.1 30.38 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 109.929 -0.397 . . . . 10.0 109.929 177.151 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 0.7 OUTLIER -73.35 -42.92 61.67 Favored 'General case' 0 C--O 1.195 -1.78 0 CA-C-O 117.948 -1.025 . . . . 10.0 109.108 176.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -62.86 -51.75 65.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 120.593 1.542 . . . . 10.0 110.998 178.524 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -61.53 -51.97 66.39 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 122.293 1.044 . . . . 10.0 109.823 -179.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.4 m -64.1 -46.29 84.9 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.621 -178.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.536 ' HG ' ' HG ' ' A' ' 30' ' ' CYS . 34.9 t -56.41 -45.83 80.47 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 107.936 -1.135 . . . . 10.0 107.936 176.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.504 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.7 t-80 -53.56 -40.67 65.77 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-O 118.102 -0.951 . . . . 10.0 110.243 177.683 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -54.1 -69.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 119.258 0.936 . . . . 10.0 111.312 176.086 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -16.32 22.3 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 122.848 1.309 . . . . 10.0 112.074 176.087 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.8 t -78.7 -68.39 0.65 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.719 -1.863 . . . . 10.0 109.308 178.23 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.43 -26.2 4.77 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.317 1.447 . . . . 10.0 110.168 177.891 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.62 -36.68 46.87 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 124.04 0.936 . . . . 10.0 112.093 172.083 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -14.16 9.78 Favored 'General case' 0 N--CA 1.444 -0.728 0 O-C-N 121.108 -0.995 . . . . 10.0 112.152 174.892 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.85 19.45 72.96 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 125.843 1.687 . . . . 10.0 109.782 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -75.82 -179.58 4.89 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 122.363 1.078 . . . . 10.0 111.674 177.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.37 130.28 9.96 Favored Glycine 0 C--O 1.223 -0.554 0 N-CA-C 110.656 -0.978 . . . . 10.0 110.656 176.089 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -39.47 -60.01 1.01 Allowed 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 124.93 1.292 . . . . 10.0 112.213 178.067 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -47.99 -58.7 4.09 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 124.988 1.43 . . . . 10.0 110.702 179.102 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.436 ' N ' HG22 ' A' ' 24' ' ' THR . 56.2 t80 -53.55 -47.58 69.9 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 122.813 0.445 . . . . 10.0 110.646 178.454 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.504 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -57.49 -36.68 71.83 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-O 118.907 -0.568 . . . . 10.0 110.933 175.819 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -66.6 0.53 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.031 1.332 . . . . 10.0 110.742 177.283 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 mtt -50.64 -36.5 35.69 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.419 0.628 . . . . 10.0 111.353 179.324 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -70.09 -63.94 0.99 Allowed 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 115.971 -1.966 . . . . 10.0 110.448 177.69 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.536 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 56.3 m -45.75 -27.13 0.76 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.949 1.406 . . . . 10.0 111.301 175.72 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -60.7 -61.31 2.68 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 122.147 0.975 . . . . 10.0 111.093 174.404 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -73.08 -21.94 60.68 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.782 -0.644 . . . . 10.0 111.413 177.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -53.09 -73.96 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.271 1.028 . . . . 10.0 108.929 177.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.42 83.66 6.89 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 106.942 -1.503 . . . . 10.0 106.942 -176.087 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.43 145.71 0.59 Allowed 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.546 -1.279 . . . . 10.0 107.546 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.628 HG22 ' H ' ' A' ' 37' ' ' LYS . 1.1 p -58.38 -168.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 122.943 1.354 . . . . 10.0 111.04 175.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.628 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -170.71 -165.19 0.42 Allowed 'General case' 0 C--N 1.322 -0.587 0 O-C-N 120.357 -1.465 . . . . 10.0 109.743 175.505 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -65.7 173.84 2.62 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 124.575 1.172 . . . . 10.0 110.766 175.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.4 t -155.12 86.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.635 0 N-CA-C 107.746 -1.205 . . . . 10.0 107.746 -179.314 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -44.23 140.95 1.97 Allowed 'General case' 0 C--O 1.237 0.401 0 O-C-N 124.723 1.265 . . . . 10.0 110.117 178.566 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -83.96 163.02 20.24 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.248 -1.019 . . . . 10.0 108.248 -176.365 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.435 ' HD2' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -46.82 122.73 4.51 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 107.915 -1.143 . . . . 10.0 107.915 179.034 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.435 HD23 ' HD2' ' A' ' 42' ' ' LYS . 1.4 pt? -42.85 155.33 0.05 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.914 2.009 . . . . 10.0 110.264 179.379 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.13 173.03 12.95 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.834 179.065 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.27 136.39 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.946 1.831 . . . . 10.0 109.78 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -123.9 173.34 8.27 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 119.99 -1.694 . . . . 10.0 110.157 -178.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -61.47 155.82 56.44 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.266 176.139 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -73.89 148.29 40.5 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 122.001 1.801 . . . . 10.0 110.948 178.597 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -102.8 159.5 15.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.2 177.494 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 CA--C 1.546 0.808 0 CA-C-O 116.251 -1.833 . . . . 10.0 111.578 178.298 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 119.77 -0.157 . . . . 10.0 110.589 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -57.92 -32.8 68.12 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.158 1.54 . . . . 10.0 115.158 176.217 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.78 -48.41 59.47 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 118.174 -0.917 . . . . 10.0 112.737 177.725 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.49 -28.53 13.67 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.725 2.01 . . . . 10.0 115.586 172.353 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -88.84 -45.33 9.83 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 125.258 1.423 . . . . 10.0 110.779 170.313 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.31 -35.2 69.55 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.602 1.561 . . . . 10.0 112.615 178.425 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.68 -44.18 78.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.328 1.018 . . . . 10.0 111.507 171.473 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -46.46 76.62 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 125.1 1.5 . . . . 10.0 108.216 -178.539 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -59.11 -54.91 41.7 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 114.243 1.201 . . . . 10.0 114.243 174.218 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.81 -52.21 66.68 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 122.26 1.029 . . . . 10.0 111.731 178.179 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.8 m -67.0 -43.68 82.3 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.967 1.707 . . . . 10.0 113.701 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.7 t -58.98 -42.42 89.96 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 167.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -58.09 -35.33 71.27 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 119.849 -1.782 . . . . 10.0 115.347 172.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -59.08 -65.61 0.64 Allowed 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 116.953 -1.499 . . . . 10.0 112.003 168.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.93 -27.56 65.41 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 122.853 1.311 . . . . 10.0 114.432 176.047 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.6 t -75.37 -55.69 5.45 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 119.736 -1.852 . . . . 10.0 112.806 179.306 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -24.2 64.68 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.07 -1.423 . . . . 10.0 113.141 174.2 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -53.9 -41.62 67.81 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 127.304 2.242 . . . . 10.0 111.755 168.219 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -7.71 1.92 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.418 1.266 . . . . 10.0 114.418 173.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.65 16.44 61.81 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 127.847 2.641 . . . . 10.0 113.237 178.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.435 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 5.3 m-20 -72.66 173.61 8.76 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-O 122.668 1.223 . . . . 10.0 111.784 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.97 125.69 9.16 Favored Glycine 0 CA--C 1.539 1.58 0 O-C-N 120.76 -1.212 . . . . 10.0 110.613 174.699 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -38.28 -62.66 0.56 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 126.267 1.827 . . . . 10.0 113.46 177.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -51.41 -55.06 20.7 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 126.738 2.015 . . . . 10.0 114.115 175.115 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -54.67 -45.4 73.87 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.815 0.846 . . . . 10.0 111.861 176.668 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 21' ' ' ASN . 0.7 OUTLIER -59.84 -41.36 91.22 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 124.46 1.104 . . . . 10.0 112.166 173.647 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.2 -61.94 2.26 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.185 0.994 . . . . 10.0 110.758 174.356 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.62 -28.24 8.41 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.74 1.616 . . . . 10.0 113.706 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -82.29 -56.49 3.88 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 116.926 -1.511 . . . . 10.0 113.037 172.68 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 99.6 m -46.82 -27.99 1.41 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 129.168 2.987 . . . . 10.0 115.893 171.033 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.72 -65.67 0.65 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.431 2.692 . . . . 10.0 111.361 169.337 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -73.14 -13.9 61.27 Favored 'General case' 0 CA--C 1.562 1.436 0 N-CA-C 113.81 1.041 . . . . 10.0 113.81 174.043 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.94 -67.79 0.39 Allowed 'General case' 0 N--CA 1.474 0.725 0 O-C-N 120.09 -1.631 . . . . 10.0 111.132 177.546 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.4 m -81.27 32.17 0.34 Allowed 'General case' 0 C--O 1.252 1.204 0 C-N-CA 125.359 1.464 . . . . 10.0 113.636 178.784 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 t -148.04 147.74 29.91 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 113.434 -1.712 . . . . 10.0 110.924 178.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.576 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.5 t -81.87 177.53 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 O-C-N 119.9 -1.75 . . . . 10.0 111.158 172.096 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.576 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -154.19 -177.69 6.61 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.623 1.169 . . . . 10.0 112.08 177.44 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.02 109.93 21.28 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.778 1.631 . . . . 10.0 111.789 175.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 p -109.35 65.07 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.512 1.525 . . . . 10.0 110.028 179.127 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -52.72 122.99 10.13 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.172 -0.955 . . . . 10.0 112.332 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -121.69 31.38 6.29 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 127.387 2.275 . . . . 10.0 111.141 -172.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -117.96 59.64 0.79 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.587 1.955 . . . . 10.0 108.624 173.359 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.28 162.45 0.33 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 113.224 -1.807 . . . . 10.0 111.217 167.816 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.3 159.72 1.87 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 122.323 1.059 . . . . 10.0 113.333 177.881 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.04 -46.77 0.06 Allowed 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 122.442 1.115 . . . . 10.0 113.343 -173.768 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -40.97 105.47 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 127.616 2.366 . . . . 10.0 110.285 174.065 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -94.92 150.87 38.44 Favored Pre-proline 0 C--O 1.239 0.5 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.67 -178.557 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -65.37 167.5 16.55 Favored 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 121.486 1.458 . . . . 10.0 109.901 174.496 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.435 ' HE2' ' OXT' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -125.99 153.55 44.18 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.806 2.042 . . . . 10.0 109.832 174.335 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.435 ' OXT' ' HE2' ' A' ' 49' ' ' LYS . 9.4 t-20 . . . . . 0 C--O 1.247 0.943 0 C-N-CA 129.003 2.921 . . . . 10.0 104.494 175.602 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 108.183 -1.043 . . . . 10.0 108.183 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -122.48 119.22 30.28 Favored 'General case' 0 C--O 1.214 -0.793 0 C-N-CA 125.439 1.496 . . . . 10.0 108.282 -179.919 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 2' ' ' GLU . . . 165.26 -96.59 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.762 0.425 . . . . 10.0 109.983 179.1 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -49.55 -29.44 6.92 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 122.665 1.221 . . . . 10.0 112.0 178.085 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -83.57 -48.21 10.48 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 125.176 1.39 . . . . 10.0 111.121 177.442 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -30.37 62.25 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 117.941 0.337 . . . . 10.0 110.631 177.667 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -77.92 -36.58 49.29 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.758 -1.115 . . . . 10.0 111.43 177.21 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -44.1 73.73 Favored 'General case' 0 C--O 1.201 -1.488 0 O-C-N 124.585 1.178 . . . . 10.0 110.986 174.202 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.424 ' CE1' ' HG2' ' A' ' 27' ' ' GLU . 25.9 t80 -61.92 -52.46 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 119.378 0.99 . . . . 10.0 112.224 177.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.29 -51.87 67.71 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 122.135 0.969 . . . . 10.0 110.022 179.604 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -66.21 -46.47 77.12 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.255 -0.884 . . . . 10.0 111.05 -178.06 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.3 t -54.89 -44.8 74.43 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 173.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.442 ' CD2' ' HB3' ' A' ' 26' ' ' CYS . 1.5 t-80 -55.9 -39.96 72.33 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 121.027 -1.046 . . . . 10.0 112.509 175.889 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -56.81 -68.93 0.18 Allowed 'General case' 0 C--O 1.212 -0.921 0 CA-C-O 116.148 -1.882 . . . . 10.0 110.422 173.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.45 -27.12 55.87 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 123.061 1.41 . . . . 10.0 113.468 176.789 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.32 -70.45 0.32 Allowed 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 120.176 -1.578 . . . . 10.0 109.361 178.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -24.65 63.06 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 121.568 -0.708 . . . . 10.0 111.354 177.588 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.87 -37.76 74.5 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.363 1.465 . . . . 10.0 110.881 173.354 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -62.36 -10.1 10.23 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 112.631 0.604 . . . . 10.0 112.631 174.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.4 21.56 29.19 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 126.041 1.781 . . . . 10.0 110.969 177.415 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.462 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -78.34 177.59 8.33 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 123.678 1.704 . . . . 10.0 110.03 -178.202 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.7 128.99 8.78 Favored Glycine 0 C--O 1.223 -0.578 0 O-C-N 120.579 -1.326 . . . . 10.0 110.069 176.121 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -39.09 -62.39 0.65 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.661 1.184 . . . . 10.0 112.051 177.019 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.42 -58.99 5.18 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.201 1.0 . . . . 10.0 111.199 -178.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -52.9 -40.35 63.47 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.934 -0.576 . . . . 10.0 112.109 177.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -60.92 -38.89 87.34 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 124.465 1.106 . . . . 10.0 110.864 176.412 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 0.7 OUTLIER -62.26 -65.56 0.67 Allowed 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 117.47 -1.252 . . . . 10.0 110.811 173.357 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.52 -25.65 2.86 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.514 1.149 . . . . 10.0 112.875 -179.481 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -83.16 -63.7 1.31 Allowed 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 116.675 -1.631 . . . . 10.0 112.372 175.166 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 61.0 m -46.47 -28.7 1.47 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.995 1.718 . . . . 10.0 112.462 174.265 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.2 -64.24 1.02 Allowed 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 125.645 1.578 . . . . 10.0 109.521 173.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -69.46 -25.49 64.11 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 123.568 0.542 . . . . 10.0 112.199 178.491 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -55.14 -73.17 0.06 Allowed 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.63 1.172 . . . . 10.0 109.597 177.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.24 79.45 3.15 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.827 -1.175 . . . . 10.0 107.827 -178.369 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 p -172.18 96.8 0.16 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 125.033 2.349 . . . . 10.0 111.368 -178.341 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.666 HG12 ' H ' ' A' ' 37' ' ' LYS . 1.6 t -76.11 -174.72 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 O-C-N 120.287 -1.508 . . . . 10.0 109.185 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.666 ' H ' HG12 ' A' ' 36' ' ' VAL . 4.0 mmtt -53.6 150.01 7.47 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.322 -0.861 . . . . 10.0 111.407 174.542 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -97.31 130.77 44.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.086 -0.961 . . . . 10.0 108.826 -179.106 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.557 ' O ' HG13 ' A' ' 39' ' ' VAL . 7.8 p -119.26 63.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 122.139 0.971 . . . . 10.0 108.889 179.047 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.09 143.85 2.15 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.614 -0.679 . . . . 10.0 111.212 -179.457 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -72.41 165.14 25.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.082 0.944 . . . . 10.0 110.493 -179.223 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 94.18 0.21 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.238 177.424 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.3 mt -45.91 127.0 7.86 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.422 1.089 . . . . 10.0 108.761 -177.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.23 165.42 19.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.523 0.677 . . . . 10.0 109.963 -178.253 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -138.23 -62.43 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.268 0.556 . . . . 10.0 110.085 176.618 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -155.28 153.69 30.97 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.166 -0.925 . . . . 10.0 109.954 -175.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.06 81.18 4.21 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.108 177.191 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -70.61 149.57 61.7 Favored 'Trans proline' 0 N--CA 1.444 -1.393 0 C-N-CA 121.295 1.33 . . . . 10.0 110.14 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.78 -23.28 62.36 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.649 -0.705 . . . . 10.0 112.265 175.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--O 1.246 0.877 0 C-N-CA 127.012 2.125 . . . . 10.0 111.887 177.812 . . . . . . . . 0 0 . 1 stop_ save_