data_2x43_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 2x43 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' S' S ' 3' ' ' GLN . . . . . 0.494 ' HG3' ' HD3' ' S' ' 6' ' ' ARG . 35.6 tt0 . . . . . 0 C--O 1.239 0.513 0 N-CA-C 113.104 0.779 . . . . 2.41 113.104 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 4' ' ' GLU . . . . . 0.622 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.3 OUTLIER -70.93 -17.69 62.68 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 118.862 -1.135 . . . . 1.37 111.928 -177.11 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 5' ' ' THR . . . . . 0.434 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 73.0 m -63.5 -63.88 1.06 Allowed 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 119.229 -0.989 . . . . 1.63 108.94 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 6' ' ' ARG . . . . . 0.512 ' O ' ' HB2' ' S' ' 10' ' ' LYS . 12.2 ptm180 -46.86 -63.67 0.97 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.443 0.534 . . . . 2.27 112.443 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -49.98 64.49 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 114.625 1.343 . . . . 1.3 114.625 -177.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 8' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 11.7 mm100 -83.51 -58.13 2.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.723 0.638 . . . . 1.92 112.723 -176.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 9' ' ' MET . . . . . 0.434 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 0.2 OUTLIER -47.0 -51.62 16.73 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.399 -0.52 . . . . 1.39 111.459 -178.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 10' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 2.7 mtmt -66.08 -44.84 83.28 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.484 0.55 . . . . 3.85 112.484 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 11' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -78.86 -61.91 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.289 0.477 . . . . 2.0 112.289 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 12' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.93 -53.38 7.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.89 110.694 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.21 -54.92 37.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.114 -0.698 . . . . 1.05 109.114 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.72 -57.35 1.93 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.67 -0.695 . . . . 1.06 112.256 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.57 -19.37 65.89 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 113.072 0.767 . . . . 1.28 113.072 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 16' ' ' ALA . . . . . 0.403 ' HB3' ' HD2' ' S' ' 39' ' ' ARG . . . -86.28 -32.42 21.09 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.622 0.725 . . . . 1.06 109.14 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 17' ' ' LYS . . . . . 0.659 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 70.8 mmtt -78.82 -33.32 46.21 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 114.589 -1.187 . . . . 2.03 110.156 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 18' ' ' ASP . . . . . 0.46 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 30.3 m-20 -78.06 -28.1 48.82 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.256 -0.578 . . . . 2.14 110.031 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -87.35 -66.22 0.93 Allowed 'General case' 0 C--O 1.248 0.995 0 C-N-CA 119.332 -0.947 . . . . 2.33 111.422 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -84.39 -30.44 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 CA-C-N 114.967 -1.015 . . . . 0.19 112.008 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 21' ' ' HIS . . . . . 0.659 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 2.2 t-160 -83.02 -31.49 27.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 118.907 -1.117 . . . . 2.05 109.665 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 22' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 19.7 t70 -56.48 -60.25 3.8 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 118.136 -1.425 . . . . 0.26 107.813 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -54.86 -39.75 68.95 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 119.848 -0.741 . . . . 1.45 112.952 176.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 24' ' ' ILE . . . . . 0.634 ' HA ' ' HB2' ' S' ' 28' ' ' LYS . 67.7 mt -62.48 -66.65 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 113.025 0.75 . . . . 0.88 113.025 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 25' ' ' GLN . . . . . 0.599 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 5.4 mt-30 -36.05 -56.03 0.75 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.956 0.884 . . . . 1.83 109.488 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -52.56 -64.52 0.79 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.125 -1.398 . . . . 2.39 111.205 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 27' ' ' LEU . . . . . 0.625 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 10.1 mt -93.23 -60.4 1.8 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 116.507 2.04 . . . . 1.32 116.507 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.752 ' HB3' ' HA2' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.82 -7.94 59.62 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 117.224 2.305 . . . . 1.96 117.224 -172.677 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 29' ' ' ASP . . . . . 0.599 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 17.1 t70 -34.43 -21.55 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.788 1.773 . . . . 2.17 115.788 -173.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 30' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' S' ' 28' ' ' LYS . 18.0 t70 -87.99 -73.78 0.47 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.793 1.179 . . . . 2.14 111.818 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 31' ' ' VAL . . . . . 0.515 ' CG1' ' H ' ' S' ' 32' ' ' GLY . 5.8 p -88.06 -58.42 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 113.615 0.969 . . . . 1.32 113.615 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.752 ' HA2' ' HB3' ' S' ' 28' ' ' LYS . . . -51.92 -15.96 2.66 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-N 114.98 -1.009 . . . . 0.21 112.769 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 33' ' ' ASN . . . . . 0.477 ' HA ' ' CG2' ' S' ' 24' ' ' ILE . 57.9 t30 -50.63 -5.14 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.261 0.838 . . . . 2.43 113.261 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 34' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' S' ' 32' ' ' GLY . 4.4 tmtp? -85.73 -40.64 15.88 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.133 -0.627 . . . . 1.6 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 35' ' ' ALA . . . . . 0.433 ' HB2' HD13 ' S' ' 24' ' ' ILE . . . -39.69 -36.81 0.45 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.541 -0.754 . . . . 1.04 111.899 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 36' ' ' ALA . . . . . 0.547 ' HB1' HD11 ' S' ' 24' ' ' ILE . . . -70.04 -65.43 0.72 Allowed 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.177 -0.675 . . . . 1.13 109.177 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -43.95 -21.71 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.092 -0.503 . . . . 2.24 112.227 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 38' ' ' VAL . . . . . . . . . . . . . 97.0 t -73.21 -51.38 26.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.861 0.362 . . . . 0.45 110.355 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 39' ' ' ARG . . . . . 0.403 ' HD2' ' HB3' ' S' ' 16' ' ' ALA . 4.2 tmt_? -48.94 -40.12 29.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.93 -0.577 . . . . 1.46 110.696 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -75.71 -22.02 57.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.71 111.528 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.38 -57.09 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.754 0.312 . . . . 0.99 111.174 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.72 -47.11 94.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.148 0.499 . . . . 0.39 111.38 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 39.4 t -52.37 -52.17 54.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.402 -0.817 . . . . 1.72 109.926 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -49.68 -41.04 42.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.341 -0.845 . . . . 1.65 111.849 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 86.5 m -56.77 -39.68 74.49 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.17 0.509 . . . . 1.54 110.916 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 46' ' ' VAL . . . . . . . . . . . . . 90.6 t -74.68 -63.33 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.609 -0.723 . . . . 0.34 109.545 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . 0.622 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 0.9 OUTLIER -45.25 -18.95 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.108 -0.951 . . . . 2.44 112.386 178.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 63.4 m -82.34 -59.84 2.41 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.132 -0.627 . . . . 1.35 110.067 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 49' ' ' ILE . . . . . 0.528 HD13 ' N ' ' S' ' 50' ' ' LYS . 2.6 pp -63.91 -18.77 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.55 -0.75 . . . . 1.02 111.434 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 50' ' ' LYS . . . . . 0.696 ' HG3' ' N ' ' S' ' 51' ' ' ASP . 13.1 ptmt -75.5 -62.08 1.69 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.608 0.595 . . . . 2.09 112.608 -178.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 51' ' ' ASP . . . . . 0.696 ' N ' ' HG3' ' S' ' 50' ' ' LYS . 0.3 OUTLIER -88.41 -38.88 14.71 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 115.077 1.51 . . . . 1.06 115.077 -176.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -76.17 -40.76 51.73 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.249 -0.58 . . . . 2.67 110.463 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 53' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.3 mm? -83.15 -8.2 59.53 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 109.167 -0.679 . . . . 1.48 109.167 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 54' ' ' SER . . . . . 0.42 ' HB3' ' HA ' ' S' ' 51' ' ' ASP . 15.7 p -43.72 -37.88 2.88 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.524 -1.216 . . . . 1.22 111.662 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.852 -0.689 . . . . 0.52 112.516 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' S' S ' 3' ' ' GLN . . . . . 0.417 ' HG2' ' OD1' ' S' ' 51' ' ' ASP . 29.4 pt20 . . . . . 0 CA--C 1.514 -0.442 0 N-CA-C 112.389 0.514 . . . . 2.41 112.389 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 4' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.8 OUTLIER -61.19 -25.59 67.14 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 118.986 -1.086 . . . . 1.37 111.954 -176.451 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 5' ' ' THR . . . . . 0.514 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 99.4 m -59.36 -63.02 1.45 Allowed 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.298 -0.961 . . . . 1.63 109.33 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 6' ' ' ARG . . . . . 0.424 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 47.6 mtp180 -42.88 -66.47 0.37 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.879 -0.6 . . . . 2.27 112.573 179.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.08 -49.65 42.27 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 115.0 1.481 . . . . 1.3 115.0 -177.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 8' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 13.0 mm100 -82.7 -60.23 2.25 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.377 0.51 . . . . 1.92 112.377 -176.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 9' ' ' MET . . . . . 0.514 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 13.3 tpt -48.08 -48.11 33.66 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.492 -0.483 . . . . 1.39 111.573 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 10' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 60.6 mtpt -67.84 -41.05 83.55 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.317 0.488 . . . . 3.85 112.317 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 11' ' ' ASN . . . . . 0.449 ' C ' HD21 ' S' ' 11' ' ' ASN . 0.2 OUTLIER -83.39 -61.95 1.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.216 0.45 . . . . 2.0 112.216 -178.527 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 12' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.45 -52.8 7.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.854 0.359 . . . . 0.89 110.634 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.12 -55.16 34.24 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.107 -0.701 . . . . 1.05 109.107 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.9 -54.38 2.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.574 -0.739 . . . . 1.06 112.521 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -68.48 -19.41 64.54 Favored 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 113.463 0.912 . . . . 1.28 113.463 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.59 -31.86 22.4 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-O 121.644 0.735 . . . . 1.06 109.105 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 17' ' ' LYS . . . . . 0.668 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 31.3 mmtp -78.91 -32.41 45.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.498 -1.228 . . . . 2.03 110.17 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 18' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 17.5 t70 -78.27 -29.47 48.0 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.066 -0.515 . . . . 2.14 110.327 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -87.51 -65.33 1.03 Allowed 'General case' 0 C--O 1.248 1.007 0 C-N-CA 119.449 -0.9 . . . . 2.33 111.575 -177.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.97 -30.62 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 CA-C-N 115.107 -0.951 . . . . 0.19 112.152 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 21' ' ' HIS . . . . . 0.668 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.3 t-80 -82.51 -31.95 28.96 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 118.855 -1.138 . . . . 2.05 109.63 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 22' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 23.6 t70 -55.79 -61.04 2.63 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 118.24 -1.384 . . . . 0.26 107.766 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 23' ' ' LYS . . . . . 0.402 ' HE3' ' HE2' ' S' ' 28' ' ' LYS . 17.3 ptmt -55.33 -41.98 73.19 Favored 'General case' 0 C--N 1.344 0.332 0 N-CA-C 113.196 0.813 . . . . 1.45 113.196 176.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 24' ' ' ILE . . . . . 0.646 ' HA ' ' HB2' ' S' ' 28' ' ' LYS . 67.9 mt -60.81 -66.21 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 113.038 0.755 . . . . 0.88 113.038 -177.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 25' ' ' GLN . . . . . 0.61 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 21.2 mt-30 -36.02 -55.24 0.76 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.858 0.837 . . . . 1.83 109.423 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -53.55 -64.82 0.7 Allowed 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.043 -1.435 . . . . 2.39 111.169 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 27' ' ' LEU . . . . . 0.549 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 11.7 mt -93.35 -60.38 1.8 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.628 2.085 . . . . 1.32 116.628 -178.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.715 ' HB3' ' HA2' ' S' ' 32' ' ' GLY . 1.9 mptp? -81.95 -8.22 59.66 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 117.093 2.257 . . . . 1.96 117.093 -172.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 29' ' ' ASP . . . . . 0.61 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 17.9 t70 -34.25 -22.78 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 115.587 1.699 . . . . 2.17 115.587 -173.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 30' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' S' ' 28' ' ' LYS . 10.4 m-20 -88.3 -73.58 0.49 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.592 1.087 . . . . 2.14 111.78 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 m -89.29 -58.41 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 113.862 1.06 . . . . 1.32 113.862 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.715 ' HA2' ' HB3' ' S' ' 28' ' ' LYS . . . -52.47 -15.96 3.26 Favored Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.556 -0.747 . . . . 0.21 112.749 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 33' ' ' ASN . . . . . 0.581 HD22 ' HE2' ' S' ' 21' ' ' HIS . 11.2 t-20 -52.95 -3.63 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.302 0.853 . . . . 2.43 113.302 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 34' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' S' ' 32' ' ' GLY . 5.4 tmtp? -84.84 -30.76 24.24 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.474 -0.49 . . . . 1.6 110.97 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.92 -34.08 58.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 1.04 112.113 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 36' ' ' ALA . . . . . 0.51 ' HB1' HD11 ' S' ' 24' ' ' ILE . . . -80.62 -21.83 41.15 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.525 0.678 . . . . 1.13 109.995 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -83.46 -28.96 28.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.051 -0.977 . . . . 2.24 109.788 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 38' ' ' VAL . . . . . . . . . . . . . 97.6 t -75.23 -43.19 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.546 -0.752 . . . . 0.45 109.51 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 39' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' S' ' 39' ' ' ARG . 2.6 tmt_? -52.47 -48.14 66.06 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.789 -0.641 . . . . 1.46 109.998 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -71.4 -21.73 61.96 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.417 -0.356 . . . . 0.71 111.093 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.76 -57.3 9.32 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.376 -0.374 . . . . 0.99 111.449 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 m -56.67 -45.61 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.035 0.445 . . . . 0.39 111.165 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 58.8 m -53.44 -54.22 40.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.468 -0.787 . . . . 1.72 110.03 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 57.9 m -49.96 -39.33 40.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.361 -0.836 . . . . 1.65 111.812 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 51.4 m -58.32 -38.77 77.78 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.183 0.516 . . . . 1.54 110.629 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 46' ' ' VAL . . . . . 0.472 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 59.7 t -74.03 -63.75 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.46 -0.791 . . . . 0.34 109.326 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 6.2 mt-10 -40.56 -20.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.91 -1.041 . . . . 2.44 112.71 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 48' ' ' SER . . . . . 0.433 ' H ' ' C ' ' S' ' 46' ' ' VAL . 70.1 m -86.15 -59.97 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.745 -0.382 . . . . 1.35 111.476 -177.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 49' ' ' ILE . . . . . 0.592 ' HA ' ' HB2' ' S' ' 53' ' ' LEU . 2.4 pp -63.49 -19.44 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.22 -0.445 . . . . 1.02 111.884 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 50' ' ' LYS . . . . . 0.804 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -80.36 -60.86 2.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.769 0.655 . . . . 2.09 112.769 -178.572 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 51' ' ' ASP . . . . . 0.804 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.5 OUTLIER -85.82 -37.93 18.69 Favored 'General case' 0 N--CA 1.461 0.093 0 N-CA-C 114.61 1.337 . . . . 1.06 114.61 -177.761 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -79.25 -36.1 40.42 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.835 -0.746 . . . . 2.67 110.524 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 53' ' ' LEU . . . . . 0.592 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 0.3 OUTLIER -85.55 -5.94 59.23 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.72 -0.844 . . . . 1.48 108.72 177.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 54' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 41.5 t -44.13 -39.96 4.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.659 -1.155 . . . . 1.22 111.217 179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 C-N-CA 120.863 -0.684 . . . . 0.52 112.322 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' S' S ' 3' ' ' GLN . . . . . 0.422 ' HB2' ' NH2' ' S' ' 6' ' ' ARG . 27.9 pt20 . . . . . 0 C--O 1.24 0.576 0 N-CA-C 111.749 0.278 . . . . 2.41 111.749 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 4' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.9 OUTLIER -62.64 -25.09 67.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 119.01 -1.076 . . . . 1.37 111.55 -176.649 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 5' ' ' THR . . . . . 0.478 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 1.1 p -58.77 -63.69 1.2 Allowed 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 119.753 -0.779 . . . . 1.63 109.68 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 6' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' S' ' 10' ' ' LYS . 35.7 mtm180 -43.29 -66.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.004 0.742 . . . . 2.27 113.004 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -73.27 -45.89 53.15 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 114.929 1.455 . . . . 1.3 114.929 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 8' ' ' GLN . . . . . 0.464 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 15.0 mm-40 -82.29 -60.81 2.08 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.489 -0.484 . . . . 1.92 112.161 -177.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 9' ' ' MET . . . . . 0.478 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 12.1 tpt -48.11 -48.28 33.95 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.036 0.384 . . . . 1.39 112.036 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 10' ' ' LYS . . . . . 0.549 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 0.6 OUTLIER -69.0 -40.72 78.55 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.462 0.542 . . . . 3.85 112.462 -179.427 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 11' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -82.96 -61.67 1.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.203 0.446 . . . . 2.0 112.203 -178.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 12' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.93 -52.7 8.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.89 110.592 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.71 -54.09 42.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.231 -0.655 . . . . 1.05 109.231 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.94 -53.64 2.9 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.468 -0.787 . . . . 1.06 112.321 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -68.78 -19.33 64.3 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 113.278 0.844 . . . . 1.28 113.278 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.07 -33.24 21.02 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.572 0.701 . . . . 1.06 109.284 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 17' ' ' LYS . . . . . 0.655 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 41.9 mmtm -78.81 -33.07 46.45 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.515 -1.22 . . . . 2.03 110.128 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 18' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 17.2 t70 -77.52 -29.57 52.48 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.163 0.506 . . . . 2.14 109.98 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 19' ' ' ASN . . . . . 0.497 HD21 ' N ' ' S' ' 19' ' ' ASN . 0.9 OUTLIER -87.44 -65.54 1.0 Allowed 'General case' 0 C--O 1.247 0.973 0 C-N-CA 119.545 -0.862 . . . . 2.33 111.444 -177.004 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 20' ' ' VAL . . . . . . . . . . . . . 1.9 t -84.6 -30.49 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 115.246 -0.888 . . . . 0.19 112.383 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 21' ' ' HIS . . . . . 0.655 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 5.6 t60 -82.66 -30.43 29.31 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 119.025 -1.07 . . . . 2.05 109.684 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 22' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 20.5 t70 -58.29 -60.57 3.56 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 118.066 -1.454 . . . . 0.26 107.555 178.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -55.41 -44.06 75.86 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 113.5 0.926 . . . . 1.45 113.5 176.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 24' ' ' ILE . . . . . 0.653 ' HA ' ' HB2' ' S' ' 28' ' ' LYS . 67.7 mt -59.33 -66.19 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 N-CA-C 112.751 0.648 . . . . 0.88 112.751 -177.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 25' ' ' GLN . . . . . 0.607 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 2.5 mt-30 -35.81 -56.08 0.71 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.928 0.871 . . . . 1.83 109.573 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -52.41 -64.95 0.65 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.095 -1.411 . . . . 2.39 111.276 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 27' ' ' LEU . . . . . 0.538 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 16.8 mt -93.43 -60.05 1.87 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 116.476 2.028 . . . . 1.32 116.476 -178.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.732 ' HB3' ' HA2' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.25 -7.97 59.63 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 117.103 2.26 . . . . 1.96 117.103 -172.635 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 29' ' ' ASP . . . . . 0.607 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 19.9 t70 -34.05 -22.13 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.365 1.617 . . . . 2.17 115.365 -173.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 30' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' S' ' 28' ' ' LYS . 11.3 m-20 -88.42 -73.47 0.49 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.565 1.075 . . . . 2.14 111.853 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 2.3 m -89.43 -58.24 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 113.929 1.085 . . . . 1.32 113.929 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.732 ' HA2' ' HB3' ' S' ' 28' ' ' LYS . . . -51.47 -15.58 1.98 Allowed Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.593 -0.731 . . . . 0.21 112.787 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 33' ' ' ASN . . . . . 0.45 ' HA ' ' CG2' ' S' ' 24' ' ' ILE . 2.8 t-20 -52.76 -4.28 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.144 0.794 . . . . 2.43 113.144 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 34' ' ' LYS . . . . . 0.526 ' HD2' ' HB2' ' S' ' 37' ' ' GLU . 19.2 tptm -86.14 -20.58 28.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.102 -0.373 . . . . 1.6 111.222 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.73 -35.49 81.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.474 -0.33 . . . . 1.04 111.468 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 36' ' ' ALA . . . . . 0.441 ' HB1' HD11 ' S' ' 24' ' ' ILE . . . -81.53 -22.25 38.03 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.596 0.712 . . . . 1.13 109.712 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 37' ' ' GLU . . . . . 0.526 ' HB2' ' HD2' ' S' ' 34' ' ' LYS . 11.3 mm-40 -83.0 -32.23 27.06 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.87 -1.059 . . . . 2.24 109.75 -178.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 38' ' ' VAL . . . . . . . . . . . . . 64.5 t -72.02 -42.16 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 108.857 -0.794 . . . . 0.45 108.857 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -50.19 -47.75 54.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.276 -0.874 . . . . 1.46 109.898 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.42 -22.12 62.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.316 -0.402 . . . . 0.71 111.473 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.66 -57.37 7.31 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.758 0.281 . . . . 0.99 111.758 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -57.49 -46.69 85.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.13 0.491 . . . . 0.39 111.001 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 50.9 m -55.68 -53.65 54.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.401 -0.818 . . . . 1.72 109.909 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 8.5 p -48.38 -40.33 25.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.505 -0.77 . . . . 1.65 111.437 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 88.1 m -59.41 -37.6 78.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.958 0.409 . . . . 1.54 110.929 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 46' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' S' ' 48' ' ' SER . 90.3 t -77.4 -64.41 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.742 -0.663 . . . . 0.34 110.217 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . 0.596 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 0.6 OUTLIER -44.91 -18.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.451 -0.795 . . . . 2.44 112.425 178.754 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 48' ' ' SER . . . . . 0.402 ' H ' ' C ' ' S' ' 46' ' ' VAL . 45.3 t -86.53 -60.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.669 -0.412 . . . . 1.35 111.667 -177.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 49' ' ' ILE . . . . . 0.581 HD13 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -62.45 -19.56 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.502 . . . . 1.02 111.736 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 50' ' ' LYS . . . . . 0.581 ' N ' HD13 ' S' ' 49' ' ' ILE . 0.0 OUTLIER -80.84 -59.41 2.68 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.806 0.669 . . . . 2.09 112.806 -178.348 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 51' ' ' ASP . . . . . 0.428 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.3 OUTLIER -85.94 -39.4 16.96 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 114.585 1.328 . . . . 1.06 114.585 -178.242 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -77.16 -44.24 30.98 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.168 -0.613 . . . . 2.67 110.567 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 53' ' ' LEU . . . . . 0.526 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 3.1 mm? -79.67 -5.31 54.88 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.474 0.654 . . . . 1.48 109.272 178.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 54' ' ' SER . . . . . 0.49 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 37.2 t -42.96 -39.69 2.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.458 -1.247 . . . . 1.22 111.6 -179.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.52 112.771 179.712 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' S' S ' 3' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.241 0.617 0 CA-C-O 120.856 0.36 . . . . 2.41 111.351 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' S' S ' 4' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.2 OUTLIER -74.4 -17.97 60.73 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 118.892 -1.123 . . . . 1.37 111.827 -176.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 5' ' ' THR . . . . . 0.52 ' O ' ' HB3' ' S' ' 9' ' ' MET . 87.9 m -60.27 -63.76 1.19 Allowed 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 119.19 -1.004 . . . . 1.63 108.835 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 6' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' S' ' 10' ' ' LYS . 14.3 ptm180 -48.48 -63.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.0 -0.545 . . . . 2.27 112.451 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 7' ' ' ASP . . . . . 0.446 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.2 OUTLIER -68.62 -50.26 52.81 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 114.705 1.372 . . . . 1.3 114.705 -177.04 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 8' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 13.6 mm100 -82.96 -62.37 1.62 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.673 0.62 . . . . 1.92 112.673 -176.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 9' ' ' MET . . . . . 0.52 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.2 tpt -46.25 -47.57 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.688 -0.405 . . . . 1.39 111.88 -178.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 10' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 0.2 OUTLIER -68.51 -43.68 76.29 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 112.395 0.517 . . . . 3.85 112.395 -179.745 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 11' ' ' ASN . . . . . 0.415 ' O ' ' HB1' ' S' ' 14' ' ' ALA . 5.5 t30 -80.71 -61.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.29 0.478 . . . . 2.0 112.29 -178.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 12' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.88 -53.28 7.73 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.852 0.358 . . . . 0.89 110.527 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.03 47.11 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.095 -0.705 . . . . 1.05 109.095 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 14' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' S' ' 11' ' ' ASN . . . -41.41 -54.08 3.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.63 -0.714 . . . . 1.06 112.439 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -68.68 -19.16 64.37 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 113.009 0.744 . . . . 1.28 113.009 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.32 -32.98 20.74 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.752 0.787 . . . . 1.06 109.071 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 17' ' ' LYS . . . . . 0.661 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 30.8 mmtp -78.27 -33.1 49.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.338 -1.301 . . . . 2.03 109.94 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 18' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 18.6 t70 -78.63 -29.05 45.66 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.818 -0.628 . . . . 2.14 109.978 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -87.59 -65.51 1.01 Allowed 'General case' 0 C--O 1.247 0.961 0 C-N-CA 119.573 -0.851 . . . . 2.33 111.206 -177.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 t -84.11 -31.44 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.727 0 CA-C-N 115.06 -0.973 . . . . 0.19 112.141 -177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 21' ' ' HIS . . . . . 0.661 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.1 t-160 -82.61 -31.91 28.65 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 118.957 -1.097 . . . . 2.05 109.899 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 22' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 15.3 t70 -55.85 -60.62 3.2 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 118.006 -1.478 . . . . 0.26 107.459 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -54.73 -43.29 72.5 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 113.269 0.84 . . . . 1.45 113.269 176.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 24' ' ' ILE . . . . . 0.624 ' HA ' ' HB2' ' S' ' 28' ' ' LYS . 73.0 mt -60.95 -66.54 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 113.224 0.824 . . . . 0.88 113.224 -177.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 25' ' ' GLN . . . . . 0.585 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 15.4 mt-30 -35.96 -54.9 0.76 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.916 0.865 . . . . 1.83 109.567 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -54.2 -64.97 0.66 Allowed 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.072 -1.422 . . . . 2.39 111.201 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 27' ' ' LEU . . . . . 0.611 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 12.9 mt -93.24 -60.4 1.8 Allowed 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 116.593 2.072 . . . . 1.32 116.593 -178.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.738 ' HB3' ' HA2' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.23 -7.86 59.63 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 117.089 2.255 . . . . 1.96 117.089 -172.622 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 29' ' ' ASP . . . . . 0.585 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 20.4 t70 -34.28 -21.34 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.42 1.637 . . . . 2.17 115.42 -173.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 30' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' S' ' 28' ' ' LYS . 4.8 m-20 -88.43 -73.32 0.5 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.568 1.076 . . . . 2.14 111.674 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 m -89.92 -58.28 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 113.998 1.11 . . . . 1.32 113.998 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.738 ' HA2' ' HB3' ' S' ' 28' ' ' LYS . . . -52.65 -15.88 3.4 Favored Glycine 0 CA--C 1.522 0.516 0 CA-C-N 115.54 -0.754 . . . . 0.21 112.91 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 33' ' ' ASN . . . . . 0.492 ' HA ' ' CG2' ' S' ' 24' ' ' ILE . 64.8 t30 -53.14 -3.59 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.328 0.862 . . . . 2.43 113.328 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 34' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' S' ' 32' ' ' GLY . 5.2 tmtp? -84.24 -32.49 24.45 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.27 -0.572 . . . . 1.6 110.965 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.09 -32.56 47.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.36 0.504 . . . . 1.04 112.36 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 36' ' ' ALA . . . . . 0.564 ' HB1' HD11 ' S' ' 24' ' ' ILE . . . -80.89 -22.43 39.8 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.396 0.617 . . . . 1.13 110.317 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 37' ' ' GLU . . . . . 0.418 ' HB2' ' HD3' ' S' ' 34' ' ' LYS . 37.4 mt-10 -84.09 -27.01 28.54 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.207 -0.906 . . . . 2.24 109.476 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 38' ' ' VAL . . . . . . . . . . . . . 77.9 t -75.53 -44.75 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.477 -0.783 . . . . 0.45 109.405 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -51.33 -49.12 61.98 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.622 -0.717 . . . . 1.46 110.254 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -70.88 -21.8 62.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.373 -0.376 . . . . 0.71 111.231 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.93 -57.43 6.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.436 -0.347 . . . . 0.99 111.863 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -56.58 -46.22 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.175 0.512 . . . . 0.39 111.038 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 39.7 t -52.86 -51.14 62.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.369 -0.832 . . . . 1.72 109.883 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 6.8 p -49.14 -37.94 23.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.448 -0.796 . . . . 1.65 111.436 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 71.1 m -59.79 -40.01 86.87 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.99 0.424 . . . . 1.54 110.762 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 46' ' ' VAL . . . . . 0.424 ' C ' ' H ' ' S' ' 48' ' ' SER . 61.9 t -75.14 -61.69 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.34 109.61 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 33.9 mt-10 -40.8 -21.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.884 -1.053 . . . . 2.44 112.451 178.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 48' ' ' SER . . . . . 0.424 ' H ' ' C ' ' S' ' 46' ' ' VAL . 68.9 m -87.02 -59.82 2.15 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.785 -0.366 . . . . 1.35 111.548 -178.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 49' ' ' ILE . . . . . 0.528 ' HA ' ' HB2' ' S' ' 53' ' ' LEU . 2.4 pp -58.91 -19.05 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.965 0.412 . . . . 1.02 111.482 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 50' ' ' LYS . . . . . 0.788 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -81.23 -60.78 2.16 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 120.236 -0.585 . . . . 2.09 112.13 -179.174 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 51' ' ' ASP . . . . . 0.788 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.2 OUTLIER -86.62 -40.51 15.09 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 114.066 1.135 . . . . 1.06 114.066 -178.829 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.63 -41.64 62.51 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.651 -0.42 . . . . 2.67 110.553 -178.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 53' ' ' LEU . . . . . 0.528 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 3.1 mm? -83.42 -7.12 59.61 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 121.378 0.608 . . . . 1.48 109.469 178.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 54' ' ' SER . . . . . 0.516 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 46.8 t -43.91 -37.69 3.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.641 -1.163 . . . . 1.22 111.688 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.806 -0.711 . . . . 0.52 112.372 -179.775 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' S' S ' 3' ' ' GLN . . . . . 0.438 ' HG2' ' OD1' ' S' ' 51' ' ' ASP . 25.8 pt20 . . . . . 0 C--O 1.238 0.478 0 CA-C-O 120.499 0.19 . . . . 2.41 111.4 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 4' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.4 OUTLIER -72.15 -19.34 61.78 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 118.995 -1.082 . . . . 1.37 111.57 -177.09 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 5' ' ' THR . . . . . 0.475 ' O ' ' HB3' ' S' ' 9' ' ' MET . 87.7 m -61.73 -63.87 1.12 Allowed 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 119.079 -1.049 . . . . 1.63 109.177 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 6' ' ' ARG . . . . . 0.451 ' HG3' ' H ' ' S' ' 7' ' ' ASP . 12.3 ptm180 -47.52 -63.87 0.94 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.508 0.558 . . . . 2.27 112.508 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 7' ' ' ASP . . . . . 0.451 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.1 OUTLIER -69.08 -49.43 57.32 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 114.635 1.346 . . . . 1.3 114.635 -177.373 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 8' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 23.3 mm-40 -83.45 -61.53 1.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.375 0.509 . . . . 1.92 112.375 -177.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 9' ' ' MET . . . . . 0.475 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.7 tpt -48.8 -48.61 41.2 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.436 -0.505 . . . . 1.39 111.769 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -67.13 -42.92 83.64 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.261 0.467 . . . . 3.85 112.261 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -83.29 -62.09 1.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.332 0.493 . . . . 2.0 112.332 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 12' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.81 -52.37 8.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.715 0.293 . . . . 0.89 110.592 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.28 -55.31 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.156 -0.683 . . . . 1.05 109.156 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.74 -55.02 3.14 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.788 -0.642 . . . . 1.06 112.078 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -67.22 -18.81 65.39 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 112.456 0.539 . . . . 1.28 112.456 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 16' ' ' ALA . . . . . 0.443 ' HB3' HH11 ' S' ' 39' ' ' ARG . . . -86.08 -29.11 23.64 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.559 -0.904 . . . . 1.06 108.559 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 17' ' ' LYS . . . . . 0.635 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 67.4 mmtt -78.83 -32.87 46.33 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 113.999 -1.455 . . . . 2.03 109.754 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 18' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 29.0 m-20 -79.49 -27.97 41.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.961 -0.563 . . . . 2.14 109.962 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -87.51 -65.75 0.98 Allowed 'General case' 0 C--O 1.25 1.129 0 C-N-CA 119.428 -0.909 . . . . 2.33 111.219 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 20' ' ' VAL . . . . . 0.533 ' HA ' ' HD3' ' S' ' 23' ' ' LYS . 3.6 t -83.78 -31.89 8.44 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.69 0 CA-C-N 115.078 -0.965 . . . . 0.19 111.983 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 21' ' ' HIS . . . . . 0.635 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.4 t-80 -83.17 -31.16 27.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 119.021 -1.071 . . . . 2.05 110.119 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 22' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 16.2 t70 -56.27 -60.36 3.62 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 118.086 -1.446 . . . . 0.26 107.587 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 23' ' ' LYS . . . . . 0.533 ' HD3' ' HA ' ' S' ' 20' ' ' VAL . 15.0 ptmt -53.27 -40.68 64.86 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 119.732 -0.787 . . . . 1.45 112.822 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 24' ' ' ILE . . . . . 0.634 ' HA ' ' HB2' ' S' ' 28' ' ' LYS . 60.2 mt -62.07 -66.95 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 113.572 0.953 . . . . 0.88 113.572 -177.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 25' ' ' GLN . . . . . 0.638 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 32.7 mt-30 -36.22 -53.9 0.81 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.84 0.829 . . . . 1.83 109.407 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -54.68 -64.44 0.83 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.215 -1.357 . . . . 2.39 111.096 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 27' ' ' LEU . . . . . 0.678 HD11 ' HZ3' ' S' ' 28' ' ' LYS . 15.3 mt -92.96 -59.91 1.93 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.496 2.036 . . . . 1.32 116.496 -178.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.678 ' HZ3' HD11 ' S' ' 27' ' ' LEU . 8.2 mptt -82.26 -8.72 59.64 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 117.049 2.24 . . . . 1.96 117.049 -172.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 29' ' ' ASP . . . . . 0.638 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 4.6 p-10 -34.86 -24.01 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 115.844 1.794 . . . . 2.17 115.844 -173.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 30' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' S' ' 28' ' ' LYS . 19.4 t70 -88.79 -74.23 0.47 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.654 1.116 . . . . 2.14 112.207 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 31' ' ' VAL . . . . . 0.475 ' CG1' ' H ' ' S' ' 32' ' ' GLY . 2.1 p -87.88 -59.14 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.347 -0.842 . . . . 1.32 113.115 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.636 ' HA2' ' HB3' ' S' ' 28' ' ' LYS . . . -54.61 -15.64 6.32 Favored Glycine 0 C--N 1.312 -0.779 0 CA-C-N 114.433 -1.258 . . . . 0.21 112.395 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 33' ' ' ASN . . . . . 0.599 ' HA ' ' CG2' ' S' ' 24' ' ' ILE . 0.1 OUTLIER -53.46 -4.0 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.918 1.081 . . . . 2.43 113.918 -179.061 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 34' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' S' ' 34' ' ' LYS . 4.6 tmtp? -85.39 -33.53 21.96 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.156 -0.618 . . . . 1.6 109.507 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -39.17 -42.41 0.96 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.104 -0.953 . . . . 1.04 112.368 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 36' ' ' ALA . . . . . 0.566 ' HB1' HD11 ' S' ' 24' ' ' ILE . . . -66.8 -64.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.655 -0.498 . . . . 1.13 109.655 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -45.25 -21.21 0.07 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.138 -0.483 . . . . 2.24 112.158 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 38' ' ' VAL . . . . . . . . . . . . . 97.4 t -76.2 -54.87 12.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.777 0.322 . . . . 0.45 110.362 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 39' ' ' ARG . . . . . 0.443 HH11 ' HB3' ' S' ' 16' ' ' ALA . 4.9 tmt_? -53.03 -30.83 37.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.144 0.497 . . . . 1.46 110.279 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -78.6 -23.68 45.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.925 -0.58 . . . . 0.71 110.791 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.48 -55.63 28.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.476 . . . . 0.99 110.845 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -59.13 -47.47 90.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 116.064 -0.516 . . . . 0.39 110.845 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 36.0 t -52.56 -52.13 56.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.592 -0.731 . . . . 1.72 109.775 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 41.1 t -48.97 -39.93 28.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.151 -0.931 . . . . 1.65 111.776 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 62.0 m -57.66 -38.35 74.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.086 0.47 . . . . 1.54 110.771 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 46' ' ' VAL . . . . . 0.412 ' C ' ' H ' ' S' ' 48' ' ' SER . 60.5 t -74.93 -63.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.665 -0.698 . . . . 0.34 109.807 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 7.9 mt-10 -40.96 -20.66 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.2 -0.909 . . . . 2.44 112.785 178.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 48' ' ' SER . . . . . 0.412 ' H ' ' C ' ' S' ' 46' ' ' VAL . 34.0 t -86.92 -60.13 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.697 -0.401 . . . . 1.35 111.677 -177.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 49' ' ' ILE . . . . . 0.557 HD13 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -58.79 -19.11 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 1.02 111.517 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 50' ' ' LYS . . . . . 0.787 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -80.76 -61.17 2.05 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.267 -0.573 . . . . 2.09 112.446 -178.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 51' ' ' ASP . . . . . 0.787 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.4 OUTLIER -87.4 -40.69 14.18 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 114.386 1.254 . . . . 1.06 114.386 -178.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -73.59 -42.65 61.27 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.143 -0.623 . . . . 2.67 110.421 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 53' ' ' LEU . . . . . 0.551 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 3.1 mm? -80.24 -8.06 59.28 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.373 0.606 . . . . 1.48 109.428 178.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 54' ' ' SER . . . . . 0.501 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 43.8 t -44.51 -47.6 10.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.585 -1.188 . . . . 1.22 111.456 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.853 -0.689 . . . . 0.52 112.309 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' S' S ' 3' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--O 1.239 0.546 0 N-CA-C 111.788 0.292 . . . . 2.41 111.788 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' S' S ' 4' ' ' GLU . . . . . 0.551 ' O ' ' HB2' ' S' ' 8' ' ' GLN . 0.2 OUTLIER -73.42 -17.25 61.28 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 118.829 -1.148 . . . . 1.37 111.62 -177.215 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 5' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' S' ' 9' ' ' MET . 48.8 m -62.54 -64.12 1.02 Allowed 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 119.168 -1.013 . . . . 1.63 108.921 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 6' ' ' ARG . . . . . 0.466 ' HG3' ' H ' ' S' ' 7' ' ' ASP . 13.2 ptm180 -47.29 -63.89 0.93 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 112.277 0.473 . . . . 2.27 112.277 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 7' ' ' ASP . . . . . 0.512 ' HB3' ' NE2' ' S' ' 8' ' ' GLN . 0.1 OUTLIER -68.73 -50.48 50.38 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 114.935 1.458 . . . . 1.3 114.935 -177.355 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 8' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 1.8 mp0 -83.35 -59.93 2.3 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.558 0.577 . . . . 1.92 112.558 -177.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 9' ' ' MET . . . . . 0.534 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.2 tpt -47.25 -47.15 24.87 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.589 -0.444 . . . . 1.39 111.442 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 10' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -69.93 -46.47 65.27 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.208 0.447 . . . . 3.85 112.208 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 11' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -77.34 -61.8 1.87 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.003 0.372 . . . . 2.0 112.003 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 12' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -45.27 -51.21 11.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.677 0.275 . . . . 0.89 110.43 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.32 -55.11 37.49 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.049 -0.722 . . . . 1.05 109.049 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.54 -57.0 1.95 Allowed 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.755 -0.657 . . . . 1.06 112.157 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -67.83 -19.25 65.04 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 113.068 0.766 . . . . 1.28 113.068 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.3 -32.87 20.83 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.786 0.803 . . . . 1.06 109.264 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 17' ' ' LYS . . . . . 0.65 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 31.1 mmtp -78.67 -34.02 46.58 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.231 -1.35 . . . . 2.03 110.163 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 18' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 15.0 t70 -79.33 -27.61 42.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.871 -0.604 . . . . 2.14 110.54 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -87.25 -67.21 0.84 Allowed 'General case' 0 C--O 1.249 1.037 0 C-N-CA 118.966 -1.094 . . . . 2.33 111.34 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 t -84.25 -31.78 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 CA-C-N 114.922 -1.035 . . . . 0.19 111.613 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 21' ' ' HIS . . . . . 0.65 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 5.9 t60 -83.68 -30.11 27.06 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 118.956 -1.098 . . . . 2.05 110.338 -178.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 22' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 14.0 t70 -57.29 -59.48 5.05 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 118.137 -1.425 . . . . 0.26 107.692 178.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 23' ' ' LYS . . . . . 0.453 ' HD3' ' HZ1' ' S' ' 28' ' ' LYS . 0.0 OUTLIER -57.87 -38.06 75.07 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 119.607 -0.837 . . . . 1.45 112.486 177.165 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 24' ' ' ILE . . . . . 0.623 ' HA ' ' HB2' ' S' ' 28' ' ' LYS . 39.2 mt -59.33 -65.57 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 112.499 0.555 . . . . 0.88 112.499 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 25' ' ' GLN . . . . . 0.667 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 33.9 mt-30 -36.04 -53.54 0.78 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.848 0.832 . . . . 1.83 109.252 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 26' ' ' GLU . . . . . 0.483 ' HB2' HD13 ' S' ' 27' ' ' LEU . 11.9 mm-40 -53.34 -64.95 0.66 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.199 -1.364 . . . . 2.39 111.234 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 27' ' ' LEU . . . . . 0.665 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 4.8 mp -93.58 -59.47 2.0 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 116.091 1.886 . . . . 1.32 116.091 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.665 ' HD2' ' HB2' ' S' ' 27' ' ' LEU . 8.4 mptt -81.38 -9.06 59.81 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 117.104 2.261 . . . . 1.96 117.104 -172.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 29' ' ' ASP . . . . . 0.667 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 6.2 p-10 -34.71 -23.04 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.454 1.65 . . . . 2.17 115.454 -173.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 30' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' S' ' 28' ' ' LYS . 30.7 t70 -88.91 -73.66 0.49 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.36 0.982 . . . . 2.14 111.901 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 1.8 m -90.61 -58.51 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 113.382 0.882 . . . . 1.32 113.382 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.652 ' HA2' ' HB3' ' S' ' 28' ' ' LYS . . . -53.23 -15.78 4.1 Favored Glycine 0 CA--C 1.521 0.466 0 CA-C-N 115.559 -0.746 . . . . 0.21 112.239 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 33' ' ' ASN . . . . . 0.56 ' HA ' ' CG2' ' S' ' 24' ' ' ILE . 27.7 p-10 -53.19 -3.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.431 0.9 . . . . 2.43 113.431 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 34' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' S' ' 32' ' ' GLY . 22.2 tptm -85.19 -37.87 19.64 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.656 -0.418 . . . . 1.6 110.089 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.38 -37.39 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.503 -0.772 . . . . 1.04 112.297 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 36' ' ' ALA . . . . . 0.58 ' HB1' HD11 ' S' ' 24' ' ' ILE . . . -70.25 -65.72 0.69 Allowed 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.612 -0.435 . . . . 1.13 109.963 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -45.73 -20.81 0.09 Allowed 'General case' 0 C--O 1.232 0.17 0 N-CA-C 112.091 0.404 . . . . 2.24 112.091 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 38' ' ' VAL . . . . . . . . . . . . . 83.0 t -72.29 -53.46 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 0.45 110.505 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 39' ' ' ARG . . . . . 0.433 ' O ' ' HD3' ' S' ' 39' ' ' ARG . 0.0 OUTLIER -50.69 -38.0 44.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.968 -0.56 . . . . 1.46 110.815 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -76.29 -21.46 56.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.396 -0.366 . . . . 0.71 111.182 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.67 -56.86 16.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.99 110.655 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 3.0 m -61.3 -46.07 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.931 -0.577 . . . . 0.39 111.211 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 84.5 p -52.74 -51.66 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.401 -0.818 . . . . 1.72 109.66 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 44.9 t -48.83 -39.65 26.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.448 -0.797 . . . . 1.65 111.427 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 35.0 m -57.18 -37.6 72.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.179 0.514 . . . . 1.54 110.208 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 46' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 42.6 t -76.11 -63.29 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.408 -0.814 . . . . 0.34 109.609 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 1.0 OUTLIER -41.14 -20.96 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.383 -0.826 . . . . 2.44 112.626 178.273 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 51.2 m -86.58 -60.04 2.1 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.656 -0.418 . . . . 1.35 111.485 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 49' ' ' ILE . . . . . 0.548 HD13 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -58.96 -18.51 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.133 -0.485 . . . . 1.02 111.557 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 50' ' ' LYS . . . . . 0.804 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 11.8 ptpt -81.85 -61.06 2.03 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.6 0.593 . . . . 2.09 112.6 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 51' ' ' ASP . . . . . 0.804 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.3 OUTLIER -86.86 -42.29 13.35 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 114.478 1.288 . . . . 1.06 114.478 -177.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -73.97 -38.38 64.19 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.341 -0.543 . . . . 2.67 110.265 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 53' ' ' LEU . . . . . 0.539 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 3.5 mm? -85.43 -7.78 58.74 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.311 0.577 . . . . 1.48 109.658 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 54' ' ' SER . . . . . 0.519 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 41.1 t -43.51 -39.76 3.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.659 -1.155 . . . . 1.22 111.592 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.798 -0.715 . . . . 0.52 112.533 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' S' S ' 3' ' ' GLN . . . . . 0.415 ' HG2' ' OD1' ' S' ' 51' ' ' ASP . 12.8 pt20 . . . . . 0 C--O 1.24 0.56 0 N-CA-C 113.243 0.831 . . . . 2.41 113.243 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 4' ' ' GLU . . . . . 0.653 ' HG3' ' O ' ' S' ' 47' ' ' GLU . 0.0 OUTLIER -61.41 -21.62 64.27 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 118.837 -1.145 . . . . 1.37 111.209 -177.16 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 5' ' ' THR . . . . . 0.481 ' O ' ' HB3' ' S' ' 9' ' ' MET . 90.9 m -61.15 -63.04 1.42 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 119.558 -0.857 . . . . 1.63 108.967 179.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 6' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -41.83 -65.85 0.41 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.703 -0.68 . . . . 2.27 112.522 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.78 -47.08 27.29 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.868 1.433 . . . . 1.3 114.868 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 8' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 11.5 mm100 -78.29 -61.31 2.04 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.252 -0.579 . . . . 1.92 111.566 -177.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 9' ' ' MET . . . . . 0.481 ' HB3' ' O ' ' S' ' 5' ' ' THR . 0.7 OUTLIER -46.88 -50.34 18.82 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.501 -0.48 . . . . 1.39 111.088 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 10' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -62.94 -44.24 96.62 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.272 0.471 . . . . 3.85 112.272 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 11' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -83.27 -61.94 1.72 Allowed 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.537 0.569 . . . . 2.0 112.537 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.5 -52.97 7.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.754 0.311 . . . . 0.89 110.682 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.97 -55.83 29.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.08 -0.711 . . . . 1.05 109.08 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.77 -57.57 1.89 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.602 -0.726 . . . . 1.06 112.258 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.81 -19.4 65.87 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.135 0.791 . . . . 1.28 113.135 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.07 -34.86 20.58 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.663 0.744 . . . . 1.06 109.392 -177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 17' ' ' LYS . . . . . 0.642 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 71.4 mmtt -78.9 -32.55 45.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.489 -1.232 . . . . 2.03 110.354 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 18' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 2.5 m-20 -79.35 -28.36 42.0 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.491 -0.484 . . . . 2.14 110.343 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -87.45 -65.79 0.98 Allowed 'General case' 0 C--O 1.249 1.068 0 C-N-CA 119.277 -0.969 . . . . 2.33 111.175 -177.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 20' ' ' VAL . . . . . 0.41 ' O ' ' HD2' ' S' ' 23' ' ' LYS . 2.1 t -83.96 -32.07 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 CA-C-N 114.907 -1.042 . . . . 0.19 111.841 -177.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 21' ' ' HIS . . . . . 0.642 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 2.1 t-160 -83.0 -31.32 27.53 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 118.738 -1.185 . . . . 2.05 109.968 -178.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 22' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 28.9 t70 -56.7 -60.16 3.95 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 118.13 -1.428 . . . . 0.26 108.027 178.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 23' ' ' LYS . . . . . 0.438 ' HZ3' ' HG2' ' S' ' 23' ' ' LYS . 0.0 OUTLIER -58.79 -38.09 77.76 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 119.52 -0.872 . . . . 1.45 113.103 177.2 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 24' ' ' ILE . . . . . 0.657 ' HA ' ' HB2' ' S' ' 28' ' ' LYS . 54.7 mt -61.37 -66.0 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 C-N-CA 120.395 -0.522 . . . . 0.88 112.397 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 25' ' ' GLN . . . . . 0.625 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 15.2 mt-30 -35.96 -55.26 0.75 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.886 0.85 . . . . 1.83 109.488 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -53.47 -64.69 0.74 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.197 -1.365 . . . . 2.39 111.238 178.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 27' ' ' LEU . . . . . 0.607 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 16.1 mt -93.16 -59.97 1.91 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 116.289 1.959 . . . . 1.32 116.289 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.703 ' HB3' ' HA2' ' S' ' 32' ' ' GLY . 1.9 mptp? -81.39 -8.3 59.71 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 116.895 2.184 . . . . 1.96 116.895 -172.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 29' ' ' ASP . . . . . 0.625 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 6.6 p-10 -34.35 -22.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.449 1.648 . . . . 2.17 115.449 -173.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 30' ' ' ASP . . . . . 0.542 ' N ' ' O ' ' S' ' 28' ' ' LYS . 14.6 t70 -88.47 -74.1 0.47 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 119.604 1.093 . . . . 2.14 111.879 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 31' ' ' VAL . . . . . 0.523 ' CG1' ' H ' ' S' ' 32' ' ' GLY . 6.5 p -89.32 -58.59 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.441 0.904 . . . . 1.32 113.441 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.703 ' HA2' ' HB3' ' S' ' 28' ' ' LYS . . . -51.35 -16.13 2.11 Favored Glycine 0 CA--C 1.522 0.519 0 CA-C-N 115.055 -0.975 . . . . 0.21 112.465 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 33' ' ' ASN . . . . . 0.617 HD22 ' HE2' ' S' ' 21' ' ' HIS . 19.9 t-20 -54.4 -4.59 0.06 Allowed 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.958 0.725 . . . . 2.43 112.958 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 34' ' ' LYS . . . . . 0.504 ' HD2' ' HB2' ' S' ' 37' ' ' GLU . 22.3 tptm -86.26 -21.32 27.45 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.606 -0.437 . . . . 1.6 111.07 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 35' ' ' ALA . . . . . 0.402 ' HB2' HD13 ' S' ' 24' ' ' ILE . . . -62.62 -35.19 78.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.18 -0.463 . . . . 1.04 111.603 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 36' ' ' ALA . . . . . 0.457 ' HB1' HD11 ' S' ' 24' ' ' ILE . . . -80.99 -21.18 40.47 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.365 0.602 . . . . 1.13 110.06 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 37' ' ' GLU . . . . . 0.504 ' HB2' ' HD2' ' S' ' 34' ' ' LYS . 15.8 mm-40 -84.3 -30.0 25.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.148 -0.933 . . . . 2.24 109.544 -178.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 38' ' ' VAL . . . . . . . . . . . . . 80.3 t -76.71 -46.03 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 115.44 -0.8 . . . . 0.45 109.836 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -56.08 -36.87 68.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.035 -0.529 . . . . 1.46 110.515 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -75.24 -24.03 57.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.983 0.421 . . . . 0.71 110.1 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.06 -50.58 70.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.893 -0.594 . . . . 0.99 111.46 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -62.85 -46.24 96.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 121.145 0.497 . . . . 0.39 111.046 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 71.0 m -52.67 -52.17 57.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.72 -0.673 . . . . 1.72 109.64 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 66.4 m -48.73 -43.22 37.25 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.213 -0.903 . . . . 1.65 112.293 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 45' ' ' THR . . . . . 0.41 ' HG1' ' N ' ' S' ' 46' ' ' VAL . 24.7 p -56.85 -35.08 68.45 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.965 0.412 . . . . 1.54 110.764 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 46' ' ' VAL . . . . . 0.44 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 60.4 t -75.09 -63.33 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.849 -0.614 . . . . 0.34 109.471 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . 0.653 ' O ' ' HG3' ' S' ' 4' ' ' GLU . 31.2 mt-10 -40.36 -22.52 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.177 -0.92 . . . . 2.44 112.311 178.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 48' ' ' SER . . . . . 0.406 ' H ' ' C ' ' S' ' 46' ' ' VAL . 71.2 m -85.79 -59.61 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.581 -0.448 . . . . 1.35 111.748 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 49' ' ' ILE . . . . . 0.553 HD13 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -62.11 -19.07 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.894 0.378 . . . . 1.02 111.662 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 50' ' ' LYS . . . . . 0.809 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -79.79 -61.19 2.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.669 0.618 . . . . 2.09 112.669 -178.458 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 51' ' ' ASP . . . . . 0.809 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.3 OUTLIER -86.9 -37.71 17.4 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 115.128 1.529 . . . . 1.06 115.128 -178.061 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -79.13 -36.55 40.39 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.003 -0.679 . . . . 2.67 110.849 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 53' ' ' LEU . . . . . 0.511 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.1 mm? -86.1 -7.58 58.49 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.709 -0.849 . . . . 1.48 108.709 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 54' ' ' SER . . . . . 0.509 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 33.9 t -43.07 -43.74 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.194 -1.366 . . . . 1.22 111.57 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.52 112.535 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' S' S ' 3' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 . . . . . 0 C--O 1.241 0.618 0 CA-C-O 120.851 0.358 . . . . 2.41 111.22 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' S' S ' 4' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.1 OUTLIER -75.43 -16.17 60.37 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 118.853 -1.139 . . . . 1.37 111.668 -177.248 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 5' ' ' THR . . . . . 0.505 ' O ' ' HB3' ' S' ' 9' ' ' MET . 58.5 m -61.49 -63.58 1.23 Allowed 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 118.939 -1.104 . . . . 1.63 108.583 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 6' ' ' ARG . . . . . 0.43 ' HG3' ' H ' ' S' ' 7' ' ' ASP . 5.4 ptm180 -46.68 -64.88 0.66 Allowed 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.743 -0.662 . . . . 2.27 112.013 178.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 7' ' ' ASP . . . . . 0.43 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.1 OUTLIER -68.99 -51.24 41.44 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 114.987 1.477 . . . . 1.3 114.987 -177.468 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 8' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 13.1 mm100 -81.95 -61.62 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.528 0.566 . . . . 1.92 112.528 -176.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 9' ' ' MET . . . . . 0.505 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.4 tpt -46.27 -49.52 17.26 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.615 -0.434 . . . . 1.39 111.526 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 10' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 32.6 mmmt -65.89 -44.15 86.16 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.319 0.488 . . . . 3.85 112.319 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 11' ' ' ASN . . . . . 0.401 ' O ' ' HB1' ' S' ' 14' ' ' ALA . 2.7 t-20 -83.47 -61.97 1.7 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.665 0.617 . . . . 2.0 112.665 -178.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 12' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.74 -53.8 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.722 0.296 . . . . 0.89 110.718 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.09 -54.48 42.53 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.157 -0.683 . . . . 1.05 109.157 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 14' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' S' ' 11' ' ' ASN . . . -41.24 -54.93 2.83 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.671 -0.695 . . . . 1.06 112.475 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.62 -19.27 64.43 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 113.131 0.789 . . . . 1.28 113.131 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.2 -30.91 22.05 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.738 0.78 . . . . 1.06 108.923 -178.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 17' ' ' LYS . . . . . 0.727 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 69.0 mmtt -78.47 -33.62 48.21 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 114.242 -1.344 . . . . 2.03 109.97 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 18' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 17.6 t70 -79.35 -27.48 41.99 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.874 -0.603 . . . . 2.14 110.229 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -87.4 -66.85 0.87 Allowed 'General case' 0 C--O 1.248 1.021 0 C-N-CA 119.426 -0.91 . . . . 2.33 111.564 -176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 t -84.68 -29.55 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 115.146 -0.934 . . . . 0.19 111.803 -177.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 21' ' ' HIS . . . . . 0.727 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 2.8 t60 -83.2 -31.66 26.96 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 118.906 -1.118 . . . . 2.05 109.625 -178.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 22' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 15.9 t70 -55.62 -60.52 3.32 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 118.217 -1.393 . . . . 0.26 107.472 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -54.53 -41.58 69.86 Favored 'General case' 0 C--N 1.344 0.334 0 N-CA-C 113.036 0.754 . . . . 1.45 113.036 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 24' ' ' ILE . . . . . 0.651 ' HA ' ' HB2' ' S' ' 28' ' ' LYS . 69.0 mt -61.8 -66.29 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 113.146 0.795 . . . . 0.88 113.146 -177.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 25' ' ' GLN . . . . . 0.576 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 32.7 mt-30 -35.77 -56.44 0.69 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.889 0.852 . . . . 1.83 109.537 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -52.85 -64.79 0.7 Allowed 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.1 -1.409 . . . . 2.39 111.213 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 27' ' ' LEU . . . . . 0.582 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 15.4 mt -93.39 -60.35 1.8 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 116.606 2.076 . . . . 1.32 116.606 -178.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.677 ' HB3' ' HA2' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.17 -8.48 59.65 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 117.121 2.267 . . . . 1.96 117.121 -172.395 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 29' ' ' ASP . . . . . 0.576 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 18.2 t70 -34.65 -21.37 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.177 1.547 . . . . 2.17 115.177 -173.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 30' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' S' ' 28' ' ' LYS . 8.8 m-20 -88.88 -73.38 0.5 Allowed 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.4 1.0 . . . . 2.14 111.771 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 31' ' ' VAL . . . . . 0.527 ' CG1' ' H ' ' S' ' 32' ' ' GLY . 5.9 p -91.44 -59.23 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 113.946 1.091 . . . . 1.32 113.946 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.677 ' HA2' ' HB3' ' S' ' 28' ' ' LYS . . . -50.86 -15.91 1.56 Allowed Glycine 0 CA--C 1.523 0.58 0 CA-C-N 115.309 -0.86 . . . . 0.21 112.594 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 33' ' ' ASN . . . . . 0.505 ' HA ' ' CG2' ' S' ' 24' ' ' ILE . 3.3 t30 -53.67 -3.53 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.255 0.835 . . . . 2.43 113.255 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 34' ' ' LYS . . . . . 0.446 ' H ' ' C ' ' S' ' 32' ' ' GLY . 4.8 tmtp? -85.49 -21.42 28.67 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.599 -0.44 . . . . 1.6 111.24 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.65 -33.56 75.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.275 -0.42 . . . . 1.04 111.942 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 36' ' ' ALA . . . . . 0.458 ' HB1' HD11 ' S' ' 24' ' ' ILE . . . -80.71 -21.54 41.13 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.477 0.656 . . . . 1.13 109.929 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 37' ' ' GLU . . . . . 0.431 ' HB2' ' HD3' ' S' ' 34' ' ' LYS . 45.3 mt-10 -83.76 -29.42 27.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.128 -0.942 . . . . 2.24 109.686 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 38' ' ' VAL . . . . . . . . . . . . . 69.5 t -74.46 -42.22 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 109.0 -0.741 . . . . 0.45 109.0 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -50.29 -49.0 54.76 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.673 -0.694 . . . . 1.46 109.867 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.86 -22.04 62.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.416 . . . . 0.71 111.368 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.74 -57.34 10.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.579 -0.282 . . . . 0.99 111.495 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 m -57.89 -46.43 87.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.181 0.515 . . . . 0.39 111.079 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 49.8 m -52.06 -51.34 58.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.401 -0.818 . . . . 1.72 109.741 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -47.71 -39.19 16.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.324 -0.853 . . . . 1.65 111.541 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 62.9 m -59.62 -40.17 86.66 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.925 0.393 . . . . 1.54 110.781 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 46' ' ' VAL . . . . . 0.422 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 63.3 t -75.15 -61.31 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.838 -0.619 . . . . 0.34 109.545 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 16.4 mt-10 -39.94 -22.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.856 -1.066 . . . . 2.44 112.289 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 48' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' S' ' 52' ' ' LYS . 43.2 m -87.01 -60.24 2.03 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.663 -0.415 . . . . 1.35 110.942 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 49' ' ' ILE . . . . . 0.624 ' HA ' ' HB2' ' S' ' 53' ' ' LEU . 2.3 pp -58.65 -19.96 15.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.77 0.319 . . . . 1.02 111.629 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 50' ' ' LYS . . . . . 0.807 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -80.6 -61.37 1.99 Allowed 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.333 -0.547 . . . . 2.09 111.822 -179.197 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 51' ' ' ASP . . . . . 0.807 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.2 OUTLIER -86.38 -39.12 16.72 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 113.279 0.844 . . . . 1.06 113.279 -179.073 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 52' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' S' ' 48' ' ' SER . 5.6 tmmm? -71.42 -45.1 63.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.698 0.285 . . . . 2.67 110.456 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 53' ' ' LEU . . . . . 0.624 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 0.3 OUTLIER -82.62 -5.86 59.04 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.269 0.557 . . . . 1.48 109.578 178.758 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 54' ' ' SER . . . . . 0.499 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 35.8 t -45.11 -32.1 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.815 -1.084 . . . . 1.22 111.798 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.962 -0.637 . . . . 0.52 111.658 -179.329 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' S' S ' 3' ' ' GLN . . . . . 0.534 ' HG3' ' HD3' ' S' ' 6' ' ' ARG . 49.4 tt0 . . . . . 0 C--O 1.24 0.594 0 N-CA-C 112.545 0.572 . . . . 2.41 112.545 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 4' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 1.3 pp20? -67.46 -25.85 66.09 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 119.129 -1.028 . . . . 1.37 112.252 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 5' ' ' THR . . . . . 0.646 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 0.0 OUTLIER -59.7 -63.69 1.21 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 119.171 -1.012 . . . . 1.63 110.261 -179.737 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 6' ' ' ARG . . . . . 0.62 ' H ' HG21 ' S' ' 5' ' ' THR . 12.2 ptm180 -45.27 -65.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.932 0.715 . . . . 2.27 112.932 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 7' ' ' ASP . . . . . 0.511 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.9 OUTLIER -71.52 -46.37 59.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.822 1.416 . . . . 1.3 114.822 -177.051 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 8' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 80.2 mm-40 -83.39 -60.41 2.14 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.331 0.493 . . . . 1.92 112.331 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 9' ' ' MET . . . . . 0.646 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 0.0 OUTLIER -48.44 -49.82 33.7 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.776 -0.37 . . . . 1.39 111.59 -178.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 10' ' ' LYS . . . . . 0.633 ' HB3' ' HZ3' ' S' ' 10' ' ' LYS . 3.4 mmmp? -67.49 -42.37 83.01 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.429 0.529 . . . . 3.85 112.429 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 11' ' ' ASN . . . . . 0.407 ' O ' ' HB1' ' S' ' 14' ' ' ALA . 2.8 t-20 -83.23 -61.56 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.385 0.513 . . . . 2.0 112.385 -178.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.81 -53.22 7.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.849 0.357 . . . . 0.89 110.59 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.87 -53.68 49.13 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.112 -0.699 . . . . 1.05 109.112 178.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 14' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' S' ' 11' ' ' ASN . . . -41.07 -55.61 2.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.627 -0.715 . . . . 1.06 112.214 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -66.45 -19.01 65.68 Favored 'General case' 0 N--CA 1.461 0.08 0 N-CA-C 113.074 0.768 . . . . 1.28 113.074 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 16' ' ' ALA . . . . . 0.415 ' HB3' ' HD2' ' S' ' 39' ' ' ARG . . . -85.76 -31.8 22.19 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.636 0.732 . . . . 1.06 109.025 -177.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 17' ' ' LYS . . . . . 0.635 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 41.8 mmtm -78.57 -33.47 47.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.512 -1.222 . . . . 2.03 110.057 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 18' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 12.1 m-20 -77.75 -29.23 50.98 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.073 -0.512 . . . . 2.14 110.32 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -87.23 -66.2 0.93 Allowed 'General case' 0 C--O 1.248 1.012 0 C-N-CA 119.373 -0.931 . . . . 2.33 111.411 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 20' ' ' VAL . . . . . 0.472 ' HB ' ' HA ' ' S' ' 36' ' ' ALA . 3.5 t -84.14 -31.03 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-N 115.154 -0.93 . . . . 0.19 111.94 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 21' ' ' HIS . . . . . 0.635 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 7.4 t60 -83.03 -30.91 27.71 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 118.854 -1.138 . . . . 2.05 110.049 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 22' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 14.7 t70 -57.41 -60.59 3.41 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 118.164 -1.415 . . . . 0.26 107.722 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -53.3 -39.91 64.37 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 119.759 -0.776 . . . . 1.45 112.733 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 24' ' ' ILE . . . . . 0.613 ' HA ' ' HB2' ' S' ' 28' ' ' LYS . 62.2 mt -62.73 -66.59 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 113.357 0.873 . . . . 0.88 113.357 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 25' ' ' GLN . . . . . 0.627 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 7.0 mt-30 -35.86 -55.18 0.74 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.957 0.884 . . . . 1.83 109.362 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -53.3 -64.63 0.76 Allowed 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 113.971 -1.468 . . . . 2.39 111.205 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 27' ' ' LEU . . . . . 0.559 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 12.3 mt -93.53 -60.13 1.85 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.579 2.066 . . . . 1.32 116.579 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.729 ' HB3' ' HA2' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.86 -7.96 59.62 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 117.089 2.255 . . . . 1.96 117.089 -172.504 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 29' ' ' ASP . . . . . 0.627 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 20.4 t70 -34.64 -22.3 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.598 1.703 . . . . 2.17 115.598 -173.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 30' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' S' ' 28' ' ' LYS . 17.1 t70 -88.59 -74.02 0.48 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.417 1.008 . . . . 2.14 112.058 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 31' ' ' VAL . . . . . 0.525 ' CG1' ' H ' ' S' ' 32' ' ' GLY . 5.1 p -88.17 -58.75 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 113.462 0.912 . . . . 1.32 113.462 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.729 ' HA2' ' HB3' ' S' ' 28' ' ' LYS . . . -54.47 -15.99 6.48 Favored Glycine 0 C--N 1.314 -0.678 0 CA-C-N 114.948 -1.024 . . . . 0.21 112.356 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 33' ' ' ASN . . . . . 0.594 ' HA ' ' CG2' ' S' ' 24' ' ' ILE . 28.4 p-10 -53.66 -4.49 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.89 1.07 . . . . 2.43 113.89 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 34' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' S' ' 34' ' ' LYS . 1.4 tmtp? -85.11 -39.77 17.54 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.238 -0.585 . . . . 1.6 109.552 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -39.68 -36.6 0.43 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.435 -0.802 . . . . 1.04 112.319 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 36' ' ' ALA . . . . . 0.584 ' HB1' HD11 ' S' ' 24' ' ' ILE . . . -66.93 -64.73 0.79 Allowed 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.992 -0.744 . . . . 1.13 108.992 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -45.1 -20.6 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.873 -0.603 . . . . 2.24 111.926 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 38' ' ' VAL . . . . . . . . . . . . . 65.5 t -71.36 -52.34 27.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 110.046 -0.353 . . . . 0.45 110.046 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 39' ' ' ARG . . . . . 0.433 ' O ' ' HD3' ' S' ' 39' ' ' ARG . 4.0 tmt_? -50.2 -33.94 21.07 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.989 -0.551 . . . . 1.46 110.367 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.38 -26.61 55.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.156 -0.474 . . . . 0.71 111.29 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.09 -52.9 63.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 0.99 111.228 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 3.5 m -64.83 -48.08 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.029 0.442 . . . . 0.39 111.492 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -53.55 -54.91 30.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.683 -0.69 . . . . 1.72 110.438 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 61.2 m -51.06 -37.51 45.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.454 -0.794 . . . . 1.65 111.535 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 52.5 m -57.7 -37.44 73.49 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.194 0.521 . . . . 1.54 110.24 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 46' ' ' VAL . . . . . 0.463 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 60.5 t -76.1 -64.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.303 -0.862 . . . . 0.34 109.712 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 2.6 mp0 -41.25 -20.87 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.271 -0.877 . . . . 2.44 112.563 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 48' ' ' SER . . . . . 0.408 ' H ' ' C ' ' S' ' 46' ' ' VAL . 46.7 t -86.16 -59.66 2.23 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.841 -0.344 . . . . 1.35 111.455 -177.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 49' ' ' ILE . . . . . 0.563 ' HA ' ' HB2' ' S' ' 53' ' ' LEU . 2.5 pp -62.93 -18.72 21.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.13 -0.487 . . . . 1.02 111.831 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 50' ' ' LYS . . . . . 0.806 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 6.0 ptpt -82.02 -60.34 2.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.983 0.734 . . . . 2.09 112.983 -178.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 51' ' ' ASP . . . . . 0.806 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.6 OUTLIER -86.53 -39.59 16.07 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 114.831 1.419 . . . . 1.06 114.831 -177.508 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -79.59 -39.44 31.67 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.06 -0.656 . . . . 2.67 110.524 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 53' ' ' LEU . . . . . 0.563 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 2.5 mm? -81.52 -7.57 59.6 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 108.774 -0.824 . . . . 1.48 108.774 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 54' ' ' SER . . . . . . . . . . . . . 26.5 p -43.08 -37.19 1.89 Allowed 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.258 -1.337 . . . . 1.22 111.658 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.83 -0.7 . . . . 0.52 112.554 179.861 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' S' S ' 3' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 115.98 1.844 . . . . 2.41 115.98 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' S' S ' 4' ' ' GLU . . . . . 0.612 ' HB2' ' HD2' ' S' ' 50' ' ' LYS . 0.4 OUTLIER -60.6 -33.01 72.12 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 118.214 -1.394 . . . . 1.37 109.698 -179.474 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 5' ' ' THR . . . . . 0.483 ' O ' ' HB3' ' S' ' 9' ' ' MET . 59.4 m -51.7 -60.7 2.87 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.684 -0.689 . . . . 1.63 109.48 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 6' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' S' ' 10' ' ' LYS . 51.6 mtp180 -41.07 -65.93 0.38 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.843 0.683 . . . . 2.27 112.843 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -74.2 -47.53 34.9 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.041 1.126 . . . . 1.3 114.041 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 8' ' ' GLN . . . . . 0.43 ' HG3' ' HE3' ' S' ' 50' ' ' LYS . 26.0 mm-40 -80.32 -64.27 1.23 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.184 0.438 . . . . 1.92 112.184 -177.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 9' ' ' MET . . . . . 0.483 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.2 tpt -48.16 -45.9 33.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.301 0.482 . . . . 1.39 112.301 -178.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 10' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 56.8 mtpt -71.56 -42.94 67.2 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.449 -0.5 . . . . 3.85 112.237 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 11' ' ' ASN . . . . . 0.422 ' O ' ' HB1' ' S' ' 14' ' ' ALA . 57.8 t30 -78.49 -62.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.992 0.367 . . . . 2.0 111.992 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.77 -53.77 9.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.605 0.24 . . . . 0.89 110.551 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.22 -52.6 58.4 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.878 -0.786 . . . . 1.05 108.878 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 14' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' S' ' 11' ' ' ASN . . . -44.4 -49.33 9.73 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.562 -0.744 . . . . 1.06 111.902 177.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -67.95 -20.31 65.05 Favored 'General case' 0 C--N 1.337 0.064 0 N-CA-C 112.514 0.561 . . . . 1.28 112.514 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 16' ' ' ALA . . . . . 0.428 ' HB3' ' HD2' ' S' ' 39' ' ' ARG . . . -86.76 -31.05 21.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.702 0.763 . . . . 1.06 109.318 -177.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 17' ' ' LYS . . . . . 0.704 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 71.3 mmtt -78.4 -35.56 46.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.326 -1.307 . . . . 2.03 110.427 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 18' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 18.8 t70 -79.35 -29.51 42.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.96 -0.564 . . . . 2.14 110.586 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -87.44 -66.65 0.89 Allowed 'General case' 0 C--O 1.249 1.055 0 C-N-CA 119.272 -0.971 . . . . 2.33 111.558 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 20' ' ' VAL . . . . . 0.425 ' HB ' ' HA ' ' S' ' 36' ' ' ALA . 2.5 t -84.07 -30.8 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 114.97 -1.014 . . . . 0.19 112.019 -177.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 21' ' ' HIS . . . . . 0.704 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.2 t-80 -82.97 -31.24 27.7 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 118.873 -1.131 . . . . 2.05 109.775 -178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 22' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 15.7 t70 -55.65 -60.34 3.58 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 117.992 -1.483 . . . . 0.26 107.687 178.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -40.77 78.88 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 119.477 -0.889 . . . . 1.45 113.164 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 24' ' ' ILE . . . . . 0.608 ' HA ' ' HB2' ' S' ' 28' ' ' LYS . 61.2 mt -59.53 -66.33 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.142 0 N-CA-C 112.738 0.644 . . . . 0.88 112.738 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 25' ' ' GLN . . . . . 0.618 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 31.2 mt-30 -35.57 -54.14 0.69 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.919 0.866 . . . . 1.83 109.355 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -54.39 -64.84 0.7 Allowed 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 113.994 -1.457 . . . . 2.39 111.061 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 27' ' ' LEU . . . . . 0.621 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 11.3 mt -93.42 -60.1 1.86 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 116.524 2.046 . . . . 1.32 116.524 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.737 ' HB3' ' HA2' ' S' ' 32' ' ' GLY . 2.4 mptp? -82.4 -8.86 59.62 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 117.538 2.422 . . . . 1.96 117.538 -172.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 29' ' ' ASP . . . . . 0.618 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 4.7 p-10 -34.22 -20.63 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.757 1.762 . . . . 2.17 115.757 -173.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 30' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' S' ' 28' ' ' LYS . 8.8 m-20 -89.02 -73.47 0.5 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.562 1.074 . . . . 2.14 111.917 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 1.7 m -87.96 -57.43 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 115.021 -0.99 . . . . 1.32 113.417 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.737 ' HA2' ' HB3' ' S' ' 28' ' ' LYS . . . -55.65 -14.78 7.6 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-N 115.502 -0.772 . . . . 0.21 112.404 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 33' ' ' ASN . . . . . 0.505 ' HA ' ' CG2' ' S' ' 24' ' ' ILE . 25.7 p-10 -50.25 -11.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.655 0.983 . . . . 2.43 113.655 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 34' ' ' LYS . . . . . 0.546 ' HD2' ' HB2' ' S' ' 37' ' ' GLU . 7.6 tptm -84.81 -29.48 25.35 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.214 -0.594 . . . . 1.6 110.813 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 35' ' ' ALA . . . . . 0.418 ' HB2' HD13 ' S' ' 24' ' ' ILE . . . -49.23 -38.45 26.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.441 -0.345 . . . . 1.04 111.682 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 36' ' ' ALA . . . . . 0.451 ' HB1' HD11 ' S' ' 24' ' ' ILE . . . -80.13 -22.67 41.83 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.729 0.776 . . . . 1.13 109.805 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 37' ' ' GLU . . . . . 0.546 ' HB2' ' HD2' ' S' ' 34' ' ' LYS . 16.8 mm-40 -84.94 -21.49 29.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.869 -1.059 . . . . 2.24 109.298 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 38' ' ' VAL . . . . . 0.463 ' N ' ' HE2' ' S' ' 34' ' ' LYS . 74.3 t -71.05 -47.46 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 108.244 -1.021 . . . . 0.45 108.244 178.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 39' ' ' ARG . . . . . 0.428 ' HD2' ' HB3' ' S' ' 16' ' ' ALA . 1.6 tmt_? -60.71 -27.55 67.98 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.079 -1.082 . . . . 1.46 108.079 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.69 -23.59 56.18 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.846 -1.07 . . . . 0.71 110.244 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.71 -57.29 3.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.667 -0.697 . . . . 0.99 111.533 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 m -51.5 -46.92 36.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.012 -0.54 . . . . 0.39 111.636 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 48.3 t -54.45 -57.13 12.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.013 -0.54 . . . . 1.72 110.086 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 44.9 t -47.76 -39.31 17.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.487 -0.779 . . . . 1.65 111.547 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 32.3 m -57.2 -37.75 72.65 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.144 0.497 . . . . 1.54 110.723 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 46' ' ' VAL . . . . . 0.413 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 97.0 t -77.06 -63.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.555 -0.748 . . . . 0.34 110.045 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 47' ' ' GLU . . . . . 0.58 ' O ' ' HG3' ' S' ' 4' ' ' GLU . 56.4 mt-10 -39.84 -23.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.21 -0.905 . . . . 2.44 112.4 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -87.36 -60.15 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.305 -0.558 . . . . 1.35 111.62 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 49' ' ' ILE . . . . . 0.528 HD13 ' N ' ' S' ' 50' ' ' LYS . 2.2 pp -57.57 -19.97 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 CA-C-O 120.95 0.405 . . . . 1.02 111.347 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 50' ' ' LYS . . . . . 0.768 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.1 OUTLIER -78.54 -60.65 2.29 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 120.102 -0.639 . . . . 2.09 111.722 -179.318 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 51' ' ' ASP . . . . . 0.768 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 8.1 t70 -86.67 -37.23 18.2 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.0 0.741 . . . . 1.06 113.0 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -69.62 -48.58 59.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.017 0.437 . . . . 2.67 110.366 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 53' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 1.2 mm? -80.64 -6.3 58.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.875 -0.602 . . . . 1.48 110.142 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 54' ' ' SER . . . . . 0.497 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 48.3 t -45.14 -50.15 11.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.987 -1.006 . . . . 1.22 111.434 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.958 -0.639 . . . . 0.52 112.215 -179.638 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' S' S ' 1' ' ' MET . . . . . 0.618 ' SD ' ' HA ' ' S' ' 48' ' ' SER . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.649 0.261 . . . . 1.83 110.699 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 2' ' ' ASP . . . . . 0.459 ' HB3' ' OD1' ' S' ' 51' ' ' ASP . 37.9 t70 -105.98 -110.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.939 0.718 . . . . 1.97 112.939 -177.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 3' ' ' GLN . . . . . 0.67 ' HA ' ' HB3' ' S' ' 60' ' ' ARG . 35.6 tt0 -80.33 -14.07 58.67 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 113.104 0.779 . . . . 2.41 113.104 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 4' ' ' GLU . . . . . 0.622 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.3 OUTLIER -70.93 -17.69 62.68 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 118.862 -1.135 . . . . 1.37 111.928 -177.11 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 5' ' ' THR . . . . . 0.434 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 73.0 m -63.5 -63.88 1.06 Allowed 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 119.229 -0.989 . . . . 1.63 108.94 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 6' ' ' ARG . . . . . 0.544 ' HD2' ' HB2' ' S' ' 60' ' ' ARG . 12.2 ptm180 -46.86 -63.67 0.97 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.443 0.534 . . . . 2.27 112.443 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -49.98 64.49 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 114.625 1.343 . . . . 1.3 114.625 -177.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 8' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 11.7 mm100 -83.51 -58.13 2.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.723 0.638 . . . . 1.92 112.723 -176.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 9' ' ' MET . . . . . 0.434 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 0.2 OUTLIER -47.0 -51.62 16.73 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.399 -0.52 . . . . 1.39 111.459 -178.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 10' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 2.7 mtmt -66.08 -44.84 83.28 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.484 0.55 . . . . 3.85 112.484 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 11' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -78.86 -61.91 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.289 0.477 . . . . 2.0 112.289 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.93 -53.38 7.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.89 110.694 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.21 -54.92 37.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.114 -0.698 . . . . 1.05 109.114 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.72 -57.35 1.93 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.67 -0.695 . . . . 1.06 112.256 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.57 -19.37 65.89 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 113.072 0.767 . . . . 1.28 113.072 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 16' ' ' ALA . . . . . 0.403 ' HB3' ' HD2' ' S' ' 39' ' ' ARG . . . -86.28 -32.42 21.09 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.622 0.725 . . . . 1.06 109.14 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 17' ' ' LYS . . . . . 0.659 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 70.8 mmtt -78.82 -33.32 46.21 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 114.589 -1.187 . . . . 2.03 110.156 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 18' ' ' ASP . . . . . 0.46 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 30.3 m-20 -78.06 -28.1 48.82 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.256 -0.578 . . . . 2.14 110.031 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -87.35 -66.22 0.93 Allowed 'General case' 0 C--O 1.248 0.995 0 C-N-CA 119.332 -0.947 . . . . 2.33 111.422 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -84.39 -30.44 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 CA-C-N 114.967 -1.015 . . . . 0.19 112.008 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 21' ' ' HIS . . . . . 0.659 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 2.2 t-160 -83.02 -31.49 27.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 118.907 -1.117 . . . . 2.05 109.665 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 22' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 19.7 t70 -56.48 -60.25 3.8 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 118.136 -1.425 . . . . 0.26 107.813 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -54.86 -39.75 68.95 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 119.848 -0.741 . . . . 1.45 112.952 176.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 24' ' ' ILE . . . . . 0.634 ' HA ' ' HB2' ' S' ' 28' ' ' LYS . 67.7 mt -62.48 -66.65 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 113.025 0.75 . . . . 0.88 113.025 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 25' ' ' GLN . . . . . 0.599 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 5.4 mt-30 -36.05 -56.03 0.75 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.956 0.884 . . . . 1.83 109.488 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -52.56 -64.52 0.79 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.125 -1.398 . . . . 2.39 111.205 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.625 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 10.1 mt -93.23 -60.4 1.8 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 116.507 2.04 . . . . 1.32 116.507 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.752 ' HB3' ' HA2' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.82 -7.94 59.62 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 117.224 2.305 . . . . 1.96 117.224 -172.677 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 29' ' ' ASP . . . . . 0.599 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 17.1 t70 -34.43 -21.55 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.788 1.773 . . . . 2.17 115.788 -173.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 30' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' S' ' 28' ' ' LYS . 18.0 t70 -87.99 -73.78 0.47 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.793 1.179 . . . . 2.14 111.818 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 31' ' ' VAL . . . . . 0.515 ' CG1' ' H ' ' S' ' 32' ' ' GLY . 5.8 p -88.06 -58.42 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 113.615 0.969 . . . . 1.32 113.615 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.752 ' HA2' ' HB3' ' S' ' 28' ' ' LYS . . . -51.92 -15.96 2.66 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-N 114.98 -1.009 . . . . 0.21 112.769 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 33' ' ' ASN . . . . . 0.477 ' HA ' ' CG2' ' S' ' 24' ' ' ILE . 57.9 t30 -50.63 -5.14 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.261 0.838 . . . . 2.43 113.261 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 34' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' S' ' 32' ' ' GLY . 4.4 tmtp? -85.73 -40.64 15.88 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.133 -0.627 . . . . 1.6 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 35' ' ' ALA . . . . . 0.433 ' HB2' HD13 ' S' ' 24' ' ' ILE . . . -39.69 -36.81 0.45 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.541 -0.754 . . . . 1.04 111.899 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 36' ' ' ALA . . . . . 0.547 ' HB1' HD11 ' S' ' 24' ' ' ILE . . . -70.04 -65.43 0.72 Allowed 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.177 -0.675 . . . . 1.13 109.177 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -43.95 -21.71 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.092 -0.503 . . . . 2.24 112.227 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 38' ' ' VAL . . . . . . . . . . . . . 97.0 t -73.21 -51.38 26.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.861 0.362 . . . . 0.45 110.355 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 39' ' ' ARG . . . . . 0.403 ' HD2' ' HB3' ' S' ' 16' ' ' ALA . 4.2 tmt_? -48.94 -40.12 29.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.93 -0.577 . . . . 1.46 110.696 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -75.71 -22.02 57.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.71 111.528 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.38 -57.09 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.754 0.312 . . . . 0.99 111.174 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.72 -47.11 94.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.148 0.499 . . . . 0.39 111.38 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 39.4 t -52.37 -52.17 54.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.402 -0.817 . . . . 1.72 109.926 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -49.68 -41.04 42.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.341 -0.845 . . . . 1.65 111.849 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 86.5 m -56.77 -39.68 74.49 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.17 0.509 . . . . 1.54 110.916 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 46' ' ' VAL . . . . . . . . . . . . . 90.6 t -74.68 -63.33 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.609 -0.723 . . . . 0.34 109.545 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . 0.622 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 0.9 OUTLIER -45.25 -18.95 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.108 -0.951 . . . . 2.44 112.386 178.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 48' ' ' SER . . . . . 0.618 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 63.4 m -82.34 -59.84 2.41 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.132 -0.627 . . . . 1.35 110.067 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 49' ' ' ILE . . . . . 0.528 HD13 ' N ' ' S' ' 50' ' ' LYS . 2.6 pp -63.91 -18.77 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.55 -0.75 . . . . 1.02 111.434 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 50' ' ' LYS . . . . . 0.696 ' HG3' ' N ' ' S' ' 51' ' ' ASP . 13.1 ptmt -75.5 -62.08 1.69 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.608 0.595 . . . . 2.09 112.608 -178.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 51' ' ' ASP . . . . . 0.696 ' N ' ' HG3' ' S' ' 50' ' ' LYS . 0.3 OUTLIER -88.41 -38.88 14.71 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 115.077 1.51 . . . . 1.06 115.077 -176.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 52' ' ' LYS . . . . . 0.563 ' HB2' ' HA ' ' S' ' 1' ' ' MET . 35.7 ttmt -76.17 -40.76 51.73 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.249 -0.58 . . . . 2.67 110.463 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 53' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.3 mm? -83.15 -8.2 59.53 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 109.167 -0.679 . . . . 1.48 109.167 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 54' ' ' SER . . . . . 0.42 ' HB3' ' HA ' ' S' ' 51' ' ' ASP . 15.7 p -43.72 -37.88 2.88 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.524 -1.216 . . . . 1.22 111.662 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.5 -29.4 2.69 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.852 -0.689 . . . . 0.52 112.516 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -161.53 124.38 1.31 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.881 -0.676 . . . . 1.13 112.327 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 77.3 p -109.26 113.29 26.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.89 0.376 . . . . 1.56 111.043 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 47.3 t -139.23 -29.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 1.95 110.848 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 59' ' ' SER . . . . . 0.495 ' C ' ' H ' ' S' ' 61' ' ' ALA . 60.4 m -99.0 125.36 44.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 1.59 110.821 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . 0.67 ' HB3' ' HA ' ' S' ' 3' ' ' GLN . 28.0 tpt180 69.59 -16.55 0.26 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.269 -0.423 . . . . 2.9 111.745 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 61' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' S' ' 59' ' ' SER . . . -49.04 -18.87 0.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.244 0.461 . . . . 1.74 112.244 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 48.0 t -68.48 -1.81 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.564 -0.289 . . . . 2.19 111.18 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 89.1 p -116.58 125.77 52.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 2.62 111.081 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -113.92 118.15 33.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 6.37 110.486 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 65' ' ' THR . . . . . 0.444 ' HG1' HD11 ' S' ' 66' ' ' LEU . 66.2 p -135.28 -60.27 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.366 -0.379 . . . . 2.28 111.749 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . 0.583 ' HB2' ' HE1' ' S' ' 1' ' ' MET . 9.8 mp -45.96 -59.63 2.72 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.935 0.397 . . . . 2.19 110.656 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.207 -0.901 . . . . 3.55 110.885 179.739 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' S' S ' 1' ' ' MET . . . . . 0.686 ' H3 ' ' HE3' ' S' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.968 0.413 . . . . 1.83 111.052 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 2' ' ' ASP . . . . . 0.463 ' HB3' ' HB3' ' S' ' 51' ' ' ASP . 41.3 t0 -95.29 -120.46 0.1 Allowed 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.83 -0.623 . . . . 1.97 111.755 -178.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 3' ' ' GLN . . . . . 0.539 ' HB3' ' HB2' ' S' ' 59' ' ' SER . 29.4 pt20 -80.71 -11.54 59.61 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 112.389 0.514 . . . . 2.41 112.389 -178.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 4' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.8 OUTLIER -61.19 -25.59 67.14 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 118.986 -1.086 . . . . 1.37 111.954 -176.451 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 5' ' ' THR . . . . . 0.514 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 99.4 m -59.36 -63.02 1.45 Allowed 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.298 -0.961 . . . . 1.63 109.33 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 6' ' ' ARG . . . . . 0.426 ' HG3' ' HG3' ' S' ' 60' ' ' ARG . 47.6 mtp180 -42.88 -66.47 0.37 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.879 -0.6 . . . . 2.27 112.573 179.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.08 -49.65 42.27 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 115.0 1.481 . . . . 1.3 115.0 -177.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 8' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 13.0 mm100 -82.7 -60.23 2.25 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.377 0.51 . . . . 1.92 112.377 -176.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 9' ' ' MET . . . . . 0.559 ' HG2' HG22 ' S' ' 65' ' ' THR . 13.3 tpt -48.08 -48.11 33.66 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.492 -0.483 . . . . 1.39 111.573 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 10' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 60.6 mtpt -67.84 -41.05 83.55 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.317 0.488 . . . . 3.85 112.317 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 11' ' ' ASN . . . . . 0.449 ' C ' HD21 ' S' ' 11' ' ' ASN . 0.2 OUTLIER -83.39 -61.95 1.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.216 0.45 . . . . 2.0 112.216 -178.527 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.45 -52.8 7.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.854 0.359 . . . . 0.89 110.634 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.12 -55.16 34.24 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.107 -0.701 . . . . 1.05 109.107 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.9 -54.38 2.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.574 -0.739 . . . . 1.06 112.521 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -68.48 -19.41 64.54 Favored 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 113.463 0.912 . . . . 1.28 113.463 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.59 -31.86 22.4 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-O 121.644 0.735 . . . . 1.06 109.105 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 17' ' ' LYS . . . . . 0.668 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 31.3 mmtp -78.91 -32.41 45.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.498 -1.228 . . . . 2.03 110.17 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 18' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 17.5 t70 -78.27 -29.47 48.0 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.066 -0.515 . . . . 2.14 110.327 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -87.51 -65.33 1.03 Allowed 'General case' 0 C--O 1.248 1.007 0 C-N-CA 119.449 -0.9 . . . . 2.33 111.575 -177.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.97 -30.62 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 CA-C-N 115.107 -0.951 . . . . 0.19 112.152 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 21' ' ' HIS . . . . . 0.668 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.3 t-80 -82.51 -31.95 28.96 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 118.855 -1.138 . . . . 2.05 109.63 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 22' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 23.6 t70 -55.79 -61.04 2.63 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 118.24 -1.384 . . . . 0.26 107.766 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 23' ' ' LYS . . . . . 0.402 ' HE3' ' HE2' ' S' ' 28' ' ' LYS . 17.3 ptmt -55.33 -41.98 73.19 Favored 'General case' 0 C--N 1.344 0.332 0 N-CA-C 113.196 0.813 . . . . 1.45 113.196 176.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 24' ' ' ILE . . . . . 0.646 ' HA ' ' HB2' ' S' ' 28' ' ' LYS . 67.9 mt -60.81 -66.21 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 113.038 0.755 . . . . 0.88 113.038 -177.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 25' ' ' GLN . . . . . 0.61 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 21.2 mt-30 -36.02 -55.24 0.76 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.858 0.837 . . . . 1.83 109.423 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -53.55 -64.82 0.7 Allowed 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.043 -1.435 . . . . 2.39 111.169 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.549 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 11.7 mt -93.35 -60.38 1.8 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.628 2.085 . . . . 1.32 116.628 -178.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.715 ' HB3' ' HA2' ' S' ' 32' ' ' GLY . 1.9 mptp? -81.95 -8.22 59.66 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 117.093 2.257 . . . . 1.96 117.093 -172.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 29' ' ' ASP . . . . . 0.61 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 17.9 t70 -34.25 -22.78 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 115.587 1.699 . . . . 2.17 115.587 -173.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 30' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' S' ' 28' ' ' LYS . 10.4 m-20 -88.3 -73.58 0.49 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.592 1.087 . . . . 2.14 111.78 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 m -89.29 -58.41 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 113.862 1.06 . . . . 1.32 113.862 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.715 ' HA2' ' HB3' ' S' ' 28' ' ' LYS . . . -52.47 -15.96 3.26 Favored Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.556 -0.747 . . . . 0.21 112.749 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 33' ' ' ASN . . . . . 0.581 HD22 ' HE2' ' S' ' 21' ' ' HIS . 11.2 t-20 -52.95 -3.63 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.302 0.853 . . . . 2.43 113.302 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 34' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' S' ' 32' ' ' GLY . 5.4 tmtp? -84.84 -30.76 24.24 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.474 -0.49 . . . . 1.6 110.97 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.92 -34.08 58.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 1.04 112.113 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 36' ' ' ALA . . . . . 0.51 ' HB1' HD11 ' S' ' 24' ' ' ILE . . . -80.62 -21.83 41.15 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.525 0.678 . . . . 1.13 109.995 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -83.46 -28.96 28.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.051 -0.977 . . . . 2.24 109.788 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 38' ' ' VAL . . . . . . . . . . . . . 97.6 t -75.23 -43.19 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.546 -0.752 . . . . 0.45 109.51 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 39' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' S' ' 39' ' ' ARG . 2.6 tmt_? -52.47 -48.14 66.06 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.789 -0.641 . . . . 1.46 109.998 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -71.4 -21.73 61.96 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.417 -0.356 . . . . 0.71 111.093 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.76 -57.3 9.32 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.376 -0.374 . . . . 0.99 111.449 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 m -56.67 -45.61 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.035 0.445 . . . . 0.39 111.165 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 58.8 m -53.44 -54.22 40.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.468 -0.787 . . . . 1.72 110.03 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 57.9 m -49.96 -39.33 40.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.361 -0.836 . . . . 1.65 111.812 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 51.4 m -58.32 -38.77 77.78 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.183 0.516 . . . . 1.54 110.629 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 46' ' ' VAL . . . . . 0.472 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 59.7 t -74.03 -63.75 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.46 -0.791 . . . . 0.34 109.326 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 6.2 mt-10 -40.56 -20.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.91 -1.041 . . . . 2.44 112.71 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 48' ' ' SER . . . . . 0.586 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 70.1 m -86.15 -59.97 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.745 -0.382 . . . . 1.35 111.476 -177.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 49' ' ' ILE . . . . . 0.592 ' HA ' ' HB2' ' S' ' 53' ' ' LEU . 2.4 pp -63.49 -19.44 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.22 -0.445 . . . . 1.02 111.884 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 50' ' ' LYS . . . . . 0.804 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -80.36 -60.86 2.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.769 0.655 . . . . 2.09 112.769 -178.572 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 51' ' ' ASP . . . . . 0.804 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.5 OUTLIER -85.82 -37.93 18.69 Favored 'General case' 0 N--CA 1.461 0.093 0 N-CA-C 114.61 1.337 . . . . 1.06 114.61 -177.761 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 52' ' ' LYS . . . . . 0.473 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 36.8 ttmt -79.25 -36.1 40.42 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.835 -0.746 . . . . 2.67 110.524 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 53' ' ' LEU . . . . . 0.592 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 0.3 OUTLIER -85.55 -5.94 59.23 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.72 -0.844 . . . . 1.48 108.72 177.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 54' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 41.5 t -44.13 -39.96 4.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.659 -1.155 . . . . 1.22 111.217 179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.12 -26.1 3.43 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.863 -0.684 . . . . 0.52 112.322 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -170.69 108.38 0.29 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.766 -0.73 . . . . 1.13 112.611 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -85.61 135.59 33.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.565 0.221 . . . . 1.56 110.496 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 47.8 t -141.91 -39.24 0.38 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.93 0.344 . . . . 1.95 111.93 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 59' ' ' SER . . . . . 0.539 ' HB2' ' HB3' ' S' ' 3' ' ' GLN . 68.7 m -63.62 -103.36 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.728 -0.214 . . . . 1.59 111.3 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . 0.595 ' HD2' ' HB3' ' S' ' 63' ' ' SER . 0.1 OUTLIER -85.56 47.83 1.49 Allowed 'General case' 0 N--CA 1.457 -0.101 0 CA-C-O 120.972 0.415 . . . . 2.9 110.62 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.86 69.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.064 -0.516 . . . . 1.74 111.787 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 44.7 t -71.45 -1.77 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 2.19 111.544 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 63' ' ' SER . . . . . 0.595 ' HB3' ' HD2' ' S' ' 60' ' ' ARG . 94.3 p -60.67 170.27 1.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.971 0.415 . . . . 2.62 111.493 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -172.35 73.51 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.834 -0.621 . . . . 6.37 110.332 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 65' ' ' THR . . . . . 0.559 HG22 ' HG2' ' S' ' 9' ' ' MET . 73.0 p -122.67 -63.88 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.429 -0.35 . . . . 2.28 111.792 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' S' ' 47' ' ' GLU . 1.2 mt -60.01 -59.15 5.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 2.19 110.713 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.31 -0.853 . . . . 3.55 110.895 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' S' S ' 1' ' ' MET . . . . . 0.691 ' H3 ' ' HE3' ' S' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.935 0.397 . . . . 1.83 111.144 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 2' ' ' ASP . . . . . 0.594 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 36.1 t70 -89.14 -121.64 0.05 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.826 -0.624 . . . . 1.97 110.749 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 3' ' ' GLN . . . . . 0.472 ' HA ' ' HB3' ' S' ' 60' ' ' ARG . 27.9 pt20 -80.05 -12.42 59.69 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 111.749 0.278 . . . . 2.41 111.749 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 4' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.9 OUTLIER -62.64 -25.09 67.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 119.01 -1.076 . . . . 1.37 111.55 -176.649 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 5' ' ' THR . . . . . 0.478 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 1.1 p -58.77 -63.69 1.2 Allowed 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 119.753 -0.779 . . . . 1.63 109.68 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 6' ' ' ARG . . . . . 0.651 ' HD3' ' HB2' ' S' ' 60' ' ' ARG . 35.7 mtm180 -43.29 -66.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.004 0.742 . . . . 2.27 113.004 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -73.27 -45.89 53.15 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 114.929 1.455 . . . . 1.3 114.929 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 8' ' ' GLN . . . . . 0.464 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 15.0 mm-40 -82.29 -60.81 2.08 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.489 -0.484 . . . . 1.92 112.161 -177.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 9' ' ' MET . . . . . 0.478 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 12.1 tpt -48.11 -48.28 33.95 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.036 0.384 . . . . 1.39 112.036 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 10' ' ' LYS . . . . . 0.549 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 0.6 OUTLIER -69.0 -40.72 78.55 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.462 0.542 . . . . 3.85 112.462 -179.427 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 11' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -82.96 -61.67 1.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.203 0.446 . . . . 2.0 112.203 -178.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.93 -52.7 8.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.89 110.592 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.71 -54.09 42.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.231 -0.655 . . . . 1.05 109.231 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.94 -53.64 2.9 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.468 -0.787 . . . . 1.06 112.321 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -68.78 -19.33 64.3 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 113.278 0.844 . . . . 1.28 113.278 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.07 -33.24 21.02 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.572 0.701 . . . . 1.06 109.284 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 17' ' ' LYS . . . . . 0.655 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 41.9 mmtm -78.81 -33.07 46.45 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.515 -1.22 . . . . 2.03 110.128 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 18' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 17.2 t70 -77.52 -29.57 52.48 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.163 0.506 . . . . 2.14 109.98 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 19' ' ' ASN . . . . . 0.497 HD21 ' N ' ' S' ' 19' ' ' ASN . 0.9 OUTLIER -87.44 -65.54 1.0 Allowed 'General case' 0 C--O 1.247 0.973 0 C-N-CA 119.545 -0.862 . . . . 2.33 111.444 -177.004 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 20' ' ' VAL . . . . . . . . . . . . . 1.9 t -84.6 -30.49 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 115.246 -0.888 . . . . 0.19 112.383 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 21' ' ' HIS . . . . . 0.655 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 5.6 t60 -82.66 -30.43 29.31 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 119.025 -1.07 . . . . 2.05 109.684 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 22' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 20.5 t70 -58.29 -60.57 3.56 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 118.066 -1.454 . . . . 0.26 107.555 178.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -55.41 -44.06 75.86 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 113.5 0.926 . . . . 1.45 113.5 176.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 24' ' ' ILE . . . . . 0.653 ' HA ' ' HB2' ' S' ' 28' ' ' LYS . 67.7 mt -59.33 -66.19 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 N-CA-C 112.751 0.648 . . . . 0.88 112.751 -177.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 25' ' ' GLN . . . . . 0.607 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 2.5 mt-30 -35.81 -56.08 0.71 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.928 0.871 . . . . 1.83 109.573 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -52.41 -64.95 0.65 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.095 -1.411 . . . . 2.39 111.276 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.538 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 16.8 mt -93.43 -60.05 1.87 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 116.476 2.028 . . . . 1.32 116.476 -178.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.732 ' HB3' ' HA2' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.25 -7.97 59.63 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 117.103 2.26 . . . . 1.96 117.103 -172.635 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 29' ' ' ASP . . . . . 0.607 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 19.9 t70 -34.05 -22.13 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.365 1.617 . . . . 2.17 115.365 -173.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 30' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' S' ' 28' ' ' LYS . 11.3 m-20 -88.42 -73.47 0.49 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.565 1.075 . . . . 2.14 111.853 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 2.3 m -89.43 -58.24 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 113.929 1.085 . . . . 1.32 113.929 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.732 ' HA2' ' HB3' ' S' ' 28' ' ' LYS . . . -51.47 -15.58 1.98 Allowed Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.593 -0.731 . . . . 0.21 112.787 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 33' ' ' ASN . . . . . 0.45 ' HA ' ' CG2' ' S' ' 24' ' ' ILE . 2.8 t-20 -52.76 -4.28 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.144 0.794 . . . . 2.43 113.144 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 34' ' ' LYS . . . . . 0.526 ' HD2' ' HB2' ' S' ' 37' ' ' GLU . 19.2 tptm -86.14 -20.58 28.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.102 -0.373 . . . . 1.6 111.222 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.73 -35.49 81.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.474 -0.33 . . . . 1.04 111.468 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 36' ' ' ALA . . . . . 0.441 ' HB1' HD11 ' S' ' 24' ' ' ILE . . . -81.53 -22.25 38.03 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.596 0.712 . . . . 1.13 109.712 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 37' ' ' GLU . . . . . 0.526 ' HB2' ' HD2' ' S' ' 34' ' ' LYS . 11.3 mm-40 -83.0 -32.23 27.06 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.87 -1.059 . . . . 2.24 109.75 -178.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 38' ' ' VAL . . . . . . . . . . . . . 64.5 t -72.02 -42.16 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 108.857 -0.794 . . . . 0.45 108.857 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -50.19 -47.75 54.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.276 -0.874 . . . . 1.46 109.898 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.42 -22.12 62.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.316 -0.402 . . . . 0.71 111.473 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.66 -57.37 7.31 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.758 0.281 . . . . 0.99 111.758 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -57.49 -46.69 85.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.13 0.491 . . . . 0.39 111.001 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 50.9 m -55.68 -53.65 54.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.401 -0.818 . . . . 1.72 109.909 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 44' ' ' SER . . . . . 0.433 ' HB2' ' HB3' ' S' ' 66' ' ' LEU . 8.5 p -48.38 -40.33 25.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.505 -0.77 . . . . 1.65 111.437 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 88.1 m -59.41 -37.6 78.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.958 0.409 . . . . 1.54 110.929 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 46' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' S' ' 48' ' ' SER . 90.3 t -77.4 -64.41 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.742 -0.663 . . . . 0.34 110.217 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . 0.596 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 0.6 OUTLIER -44.91 -18.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.451 -0.795 . . . . 2.44 112.425 178.754 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 48' ' ' SER . . . . . 0.598 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 45.3 t -86.53 -60.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.669 -0.412 . . . . 1.35 111.667 -177.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 49' ' ' ILE . . . . . 0.581 HD13 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -62.45 -19.56 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.502 . . . . 1.02 111.736 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 50' ' ' LYS . . . . . 0.581 ' N ' HD13 ' S' ' 49' ' ' ILE . 0.0 OUTLIER -80.84 -59.41 2.68 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.806 0.669 . . . . 2.09 112.806 -178.348 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 51' ' ' ASP . . . . . 0.428 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.3 OUTLIER -85.94 -39.4 16.96 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 114.585 1.328 . . . . 1.06 114.585 -178.242 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 52' ' ' LYS . . . . . 0.484 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 40.2 ttpt -77.16 -44.24 30.98 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.168 -0.613 . . . . 2.67 110.567 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 53' ' ' LEU . . . . . 0.526 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 3.1 mm? -79.67 -5.31 54.88 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.474 0.654 . . . . 1.48 109.272 178.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 54' ' ' SER . . . . . 0.49 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 37.2 t -42.96 -39.69 2.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.458 -1.247 . . . . 1.22 111.6 -179.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.79 -22.64 5.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.52 112.771 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.26 87.08 0.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.654 -0.784 . . . . 1.13 112.67 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 81.4 p -83.32 109.8 17.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.308 . . . . 1.56 110.785 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 47.1 t -127.67 -20.35 3.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 1.95 111.281 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 59' ' ' SER . . . . . . . . . . . . . 73.5 m -67.98 -97.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.522 -0.308 . . . . 1.59 110.998 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . 0.651 ' HB2' ' HD3' ' S' ' 6' ' ' ARG . 25.0 tpt180 -97.65 46.63 1.02 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 121.212 0.53 . . . . 2.9 110.523 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.99 -3.58 33.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.991 -0.55 . . . . 1.74 111.853 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 83.5 p -89.18 -1.55 58.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.44 -0.345 . . . . 2.19 111.731 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 63' ' ' SER . . . . . 0.455 ' HG ' HG23 ' S' ' 5' ' ' THR . 69.2 p -118.83 119.31 34.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 2.62 111.772 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -108.95 131.72 54.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.92 -0.582 . . . . 6.37 109.917 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 65' ' ' THR . . . . . 0.456 HG22 ' HG2' ' S' ' 9' ' ' MET . 34.1 p -137.87 -60.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.831 0.308 . . . . 2.28 111.831 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . 0.51 ' HG ' ' HE1' ' S' ' 1' ' ' MET . 3.6 mt -57.2 -37.26 71.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 2.19 110.821 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 67' ' ' GLU . . . . . 0.428 ' HG2' ' HZ1' ' S' ' 52' ' ' LYS . 44.1 mt-10 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.18 -0.914 . . . . 3.55 110.876 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 1' ' ' MET . . . . . 0.623 ' SD ' ' HA ' ' S' ' 48' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.79 0.328 . . . . 1.83 111.123 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 2' ' ' ASP . . . . . 0.568 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 38.8 t70 -87.82 -111.62 0.06 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.117 -0.492 . . . . 1.97 110.391 -178.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 3' ' ' GLN . . . . . 0.57 ' HB2' ' HB3' ' S' ' 59' ' ' SER . 20.7 tm0? -80.0 -14.5 58.52 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 120.856 0.36 . . . . 2.41 111.351 -179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 4' ' ' GLU . . . . . 0.594 ' HG3' ' HB3' ' S' ' 1' ' ' MET . 0.2 OUTLIER -74.4 -17.97 60.73 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 118.892 -1.123 . . . . 1.37 111.827 -176.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 5' ' ' THR . . . . . 0.52 ' O ' ' HB3' ' S' ' 9' ' ' MET . 87.9 m -60.27 -63.76 1.19 Allowed 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 119.19 -1.004 . . . . 1.63 108.835 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 6' ' ' ARG . . . . . 0.584 ' HD2' ' HB2' ' S' ' 60' ' ' ARG . 14.3 ptm180 -48.48 -63.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.0 -0.545 . . . . 2.27 112.451 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 7' ' ' ASP . . . . . 0.446 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.2 OUTLIER -68.62 -50.26 52.81 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 114.705 1.372 . . . . 1.3 114.705 -177.04 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 8' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 13.6 mm100 -82.96 -62.37 1.62 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.673 0.62 . . . . 1.92 112.673 -176.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 9' ' ' MET . . . . . 0.52 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.2 tpt -46.25 -47.57 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.688 -0.405 . . . . 1.39 111.88 -178.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 10' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 0.2 OUTLIER -68.51 -43.68 76.29 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 112.395 0.517 . . . . 3.85 112.395 -179.745 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 11' ' ' ASN . . . . . 0.415 ' O ' ' HB1' ' S' ' 14' ' ' ALA . 5.5 t30 -80.71 -61.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.29 0.478 . . . . 2.0 112.29 -178.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.88 -53.28 7.73 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.852 0.358 . . . . 0.89 110.527 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.03 47.11 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.095 -0.705 . . . . 1.05 109.095 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 14' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' S' ' 11' ' ' ASN . . . -41.41 -54.08 3.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.63 -0.714 . . . . 1.06 112.439 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -68.68 -19.16 64.37 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 113.009 0.744 . . . . 1.28 113.009 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.32 -32.98 20.74 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.752 0.787 . . . . 1.06 109.071 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 17' ' ' LYS . . . . . 0.661 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 30.8 mmtp -78.27 -33.1 49.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.338 -1.301 . . . . 2.03 109.94 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 18' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 18.6 t70 -78.63 -29.05 45.66 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.818 -0.628 . . . . 2.14 109.978 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -87.59 -65.51 1.01 Allowed 'General case' 0 C--O 1.247 0.961 0 C-N-CA 119.573 -0.851 . . . . 2.33 111.206 -177.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 t -84.11 -31.44 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.727 0 CA-C-N 115.06 -0.973 . . . . 0.19 112.141 -177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 21' ' ' HIS . . . . . 0.661 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.1 t-160 -82.61 -31.91 28.65 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 118.957 -1.097 . . . . 2.05 109.899 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 22' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 15.3 t70 -55.85 -60.62 3.2 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 118.006 -1.478 . . . . 0.26 107.459 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -54.73 -43.29 72.5 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 113.269 0.84 . . . . 1.45 113.269 176.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 24' ' ' ILE . . . . . 0.624 ' HA ' ' HB2' ' S' ' 28' ' ' LYS . 73.0 mt -60.95 -66.54 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 113.224 0.824 . . . . 0.88 113.224 -177.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 25' ' ' GLN . . . . . 0.585 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 15.4 mt-30 -35.96 -54.9 0.76 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.916 0.865 . . . . 1.83 109.567 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -54.2 -64.97 0.66 Allowed 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.072 -1.422 . . . . 2.39 111.201 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.611 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 12.9 mt -93.24 -60.4 1.8 Allowed 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 116.593 2.072 . . . . 1.32 116.593 -178.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.738 ' HB3' ' HA2' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.23 -7.86 59.63 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 117.089 2.255 . . . . 1.96 117.089 -172.622 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 29' ' ' ASP . . . . . 0.585 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 20.4 t70 -34.28 -21.34 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.42 1.637 . . . . 2.17 115.42 -173.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 30' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' S' ' 28' ' ' LYS . 4.8 m-20 -88.43 -73.32 0.5 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.568 1.076 . . . . 2.14 111.674 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 m -89.92 -58.28 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 113.998 1.11 . . . . 1.32 113.998 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.738 ' HA2' ' HB3' ' S' ' 28' ' ' LYS . . . -52.65 -15.88 3.4 Favored Glycine 0 CA--C 1.522 0.516 0 CA-C-N 115.54 -0.754 . . . . 0.21 112.91 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 33' ' ' ASN . . . . . 0.492 ' HA ' ' CG2' ' S' ' 24' ' ' ILE . 64.8 t30 -53.14 -3.59 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.328 0.862 . . . . 2.43 113.328 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 34' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' S' ' 32' ' ' GLY . 5.2 tmtp? -84.24 -32.49 24.45 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.27 -0.572 . . . . 1.6 110.965 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.09 -32.56 47.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.36 0.504 . . . . 1.04 112.36 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 36' ' ' ALA . . . . . 0.564 ' HB1' HD11 ' S' ' 24' ' ' ILE . . . -80.89 -22.43 39.8 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.396 0.617 . . . . 1.13 110.317 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 37' ' ' GLU . . . . . 0.418 ' HB2' ' HD3' ' S' ' 34' ' ' LYS . 37.4 mt-10 -84.09 -27.01 28.54 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.207 -0.906 . . . . 2.24 109.476 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 38' ' ' VAL . . . . . . . . . . . . . 77.9 t -75.53 -44.75 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.477 -0.783 . . . . 0.45 109.405 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -51.33 -49.12 61.98 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.622 -0.717 . . . . 1.46 110.254 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -70.88 -21.8 62.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.373 -0.376 . . . . 0.71 111.231 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.93 -57.43 6.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.436 -0.347 . . . . 0.99 111.863 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -56.58 -46.22 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.175 0.512 . . . . 0.39 111.038 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 39.7 t -52.86 -51.14 62.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.369 -0.832 . . . . 1.72 109.883 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 6.8 p -49.14 -37.94 23.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.448 -0.796 . . . . 1.65 111.436 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 71.1 m -59.79 -40.01 86.87 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.99 0.424 . . . . 1.54 110.762 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 46' ' ' VAL . . . . . 0.424 ' C ' ' H ' ' S' ' 48' ' ' SER . 61.9 t -75.14 -61.69 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.34 109.61 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 33.9 mt-10 -40.8 -21.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.884 -1.053 . . . . 2.44 112.451 178.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 48' ' ' SER . . . . . 0.623 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 68.9 m -87.02 -59.82 2.15 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.785 -0.366 . . . . 1.35 111.548 -178.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 49' ' ' ILE . . . . . 0.528 ' HA ' ' HB2' ' S' ' 53' ' ' LEU . 2.4 pp -58.91 -19.05 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.965 0.412 . . . . 1.02 111.482 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 50' ' ' LYS . . . . . 0.788 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -81.23 -60.78 2.16 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 120.236 -0.585 . . . . 2.09 112.13 -179.174 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 51' ' ' ASP . . . . . 0.788 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.2 OUTLIER -86.62 -40.51 15.09 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 114.066 1.135 . . . . 1.06 114.066 -178.829 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 52' ' ' LYS . . . . . 0.512 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 0.9 OUTLIER -73.63 -41.64 62.51 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.651 -0.42 . . . . 2.67 110.553 -178.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 53' ' ' LEU . . . . . 0.528 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 3.1 mm? -83.42 -7.12 59.61 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 121.378 0.608 . . . . 1.48 109.469 178.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 54' ' ' SER . . . . . 0.516 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 46.8 t -43.91 -37.69 3.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.641 -1.163 . . . . 1.22 111.688 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.92 -25.65 16.09 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.806 -0.711 . . . . 0.52 112.372 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.34 58.75 0.55 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.899 -0.667 . . . . 1.13 112.391 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 72.6 p -63.84 106.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.713 0.292 . . . . 1.56 110.928 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 58.0 m -157.37 85.32 0.92 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.266 -0.424 . . . . 1.95 111.263 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 59' ' ' SER . . . . . 0.57 ' HB3' ' HB2' ' S' ' 3' ' ' GLN . 36.4 t -168.11 -88.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 1.59 110.744 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . 0.584 ' HB2' ' HD2' ' S' ' 6' ' ' ARG . 29.9 tpt180 -94.48 18.64 10.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.44 0.638 . . . . 2.9 110.225 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.0 -15.14 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.542 -0.754 . . . . 1.74 111.784 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 46.7 t -62.98 -8.37 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 2.19 111.062 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 32.2 t -123.23 123.97 41.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.389 -0.369 . . . . 2.62 111.098 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -109.68 110.25 21.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 6.37 110.628 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 65' ' ' THR . . . . . 0.501 HG22 ' HG2' ' S' ' 9' ' ' MET . 44.6 p -119.87 -59.62 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 2.28 111.607 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . 0.555 HD11 ' SD ' ' S' ' 1' ' ' MET . 6.1 mt -61.41 -53.64 53.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.33 -0.395 . . . . 2.19 110.878 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.169 -0.92 . . . . 3.55 110.812 179.886 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' S' S ' 1' ' ' MET . . . . . 0.659 ' SD ' ' HA ' ' S' ' 48' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.93 0.395 . . . . 1.83 111.11 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 2' ' ' ASP . . . . . 0.555 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 26.1 t0 -85.52 -117.13 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.911 -0.586 . . . . 1.97 110.196 -179.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 3' ' ' GLN . . . . . 0.505 ' HA ' ' HB3' ' S' ' 60' ' ' ARG . 25.8 pt20 -79.98 -12.77 59.69 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.499 0.19 . . . . 2.41 111.4 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 4' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.4 OUTLIER -72.15 -19.34 61.78 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 118.995 -1.082 . . . . 1.37 111.57 -177.09 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 5' ' ' THR . . . . . 0.475 ' O ' ' HB3' ' S' ' 9' ' ' MET . 87.7 m -61.73 -63.87 1.12 Allowed 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 119.079 -1.049 . . . . 1.63 109.177 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 6' ' ' ARG . . . . . 0.616 ' HD2' ' HB2' ' S' ' 60' ' ' ARG . 12.3 ptm180 -47.52 -63.87 0.94 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.508 0.558 . . . . 2.27 112.508 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 7' ' ' ASP . . . . . 0.451 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.1 OUTLIER -69.08 -49.43 57.32 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 114.635 1.346 . . . . 1.3 114.635 -177.373 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 8' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 23.3 mm-40 -83.45 -61.53 1.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.375 0.509 . . . . 1.92 112.375 -177.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 9' ' ' MET . . . . . 0.583 ' HG2' HG22 ' S' ' 65' ' ' THR . 13.7 tpt -48.8 -48.61 41.2 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.436 -0.505 . . . . 1.39 111.769 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -67.13 -42.92 83.64 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.261 0.467 . . . . 3.85 112.261 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -83.29 -62.09 1.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.332 0.493 . . . . 2.0 112.332 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.81 -52.37 8.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.715 0.293 . . . . 0.89 110.592 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.28 -55.31 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.156 -0.683 . . . . 1.05 109.156 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.74 -55.02 3.14 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.788 -0.642 . . . . 1.06 112.078 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -67.22 -18.81 65.39 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 112.456 0.539 . . . . 1.28 112.456 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 16' ' ' ALA . . . . . 0.443 ' HB3' HH11 ' S' ' 39' ' ' ARG . . . -86.08 -29.11 23.64 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.559 -0.904 . . . . 1.06 108.559 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 17' ' ' LYS . . . . . 0.635 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 67.4 mmtt -78.83 -32.87 46.33 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 113.999 -1.455 . . . . 2.03 109.754 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 18' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 29.0 m-20 -79.49 -27.97 41.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.961 -0.563 . . . . 2.14 109.962 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -87.51 -65.75 0.98 Allowed 'General case' 0 C--O 1.25 1.129 0 C-N-CA 119.428 -0.909 . . . . 2.33 111.219 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 20' ' ' VAL . . . . . 0.533 ' HA ' ' HD3' ' S' ' 23' ' ' LYS . 3.6 t -83.78 -31.89 8.44 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.69 0 CA-C-N 115.078 -0.965 . . . . 0.19 111.983 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 21' ' ' HIS . . . . . 0.635 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.4 t-80 -83.17 -31.16 27.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 119.021 -1.071 . . . . 2.05 110.119 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 22' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 16.2 t70 -56.27 -60.36 3.62 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 118.086 -1.446 . . . . 0.26 107.587 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 23' ' ' LYS . . . . . 0.533 ' HD3' ' HA ' ' S' ' 20' ' ' VAL . 15.0 ptmt -53.27 -40.68 64.86 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 119.732 -0.787 . . . . 1.45 112.822 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 24' ' ' ILE . . . . . 0.634 ' HA ' ' HB2' ' S' ' 28' ' ' LYS . 60.2 mt -62.07 -66.95 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 113.572 0.953 . . . . 0.88 113.572 -177.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 25' ' ' GLN . . . . . 0.638 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 32.7 mt-30 -36.22 -53.9 0.81 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.84 0.829 . . . . 1.83 109.407 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -54.68 -64.44 0.83 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.215 -1.357 . . . . 2.39 111.096 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.678 HD11 ' HZ3' ' S' ' 28' ' ' LYS . 15.3 mt -92.96 -59.91 1.93 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.496 2.036 . . . . 1.32 116.496 -178.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.678 ' HZ3' HD11 ' S' ' 27' ' ' LEU . 8.2 mptt -82.26 -8.72 59.64 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 117.049 2.24 . . . . 1.96 117.049 -172.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 29' ' ' ASP . . . . . 0.638 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 4.6 p-10 -34.86 -24.01 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 115.844 1.794 . . . . 2.17 115.844 -173.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 30' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' S' ' 28' ' ' LYS . 19.4 t70 -88.79 -74.23 0.47 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.654 1.116 . . . . 2.14 112.207 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 31' ' ' VAL . . . . . 0.475 ' CG1' ' H ' ' S' ' 32' ' ' GLY . 2.1 p -87.88 -59.14 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.347 -0.842 . . . . 1.32 113.115 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.636 ' HA2' ' HB3' ' S' ' 28' ' ' LYS . . . -54.61 -15.64 6.32 Favored Glycine 0 C--N 1.312 -0.779 0 CA-C-N 114.433 -1.258 . . . . 0.21 112.395 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 33' ' ' ASN . . . . . 0.599 ' HA ' ' CG2' ' S' ' 24' ' ' ILE . 0.1 OUTLIER -53.46 -4.0 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.918 1.081 . . . . 2.43 113.918 -179.061 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 34' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' S' ' 34' ' ' LYS . 4.6 tmtp? -85.39 -33.53 21.96 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.156 -0.618 . . . . 1.6 109.507 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -39.17 -42.41 0.96 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.104 -0.953 . . . . 1.04 112.368 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 36' ' ' ALA . . . . . 0.566 ' HB1' HD11 ' S' ' 24' ' ' ILE . . . -66.8 -64.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.655 -0.498 . . . . 1.13 109.655 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -45.25 -21.21 0.07 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.138 -0.483 . . . . 2.24 112.158 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 38' ' ' VAL . . . . . . . . . . . . . 97.4 t -76.2 -54.87 12.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.777 0.322 . . . . 0.45 110.362 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 39' ' ' ARG . . . . . 0.443 HH11 ' HB3' ' S' ' 16' ' ' ALA . 4.9 tmt_? -53.03 -30.83 37.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.144 0.497 . . . . 1.46 110.279 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -78.6 -23.68 45.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.925 -0.58 . . . . 0.71 110.791 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.48 -55.63 28.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.476 . . . . 0.99 110.845 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -59.13 -47.47 90.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 116.064 -0.516 . . . . 0.39 110.845 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 36.0 t -52.56 -52.13 56.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.592 -0.731 . . . . 1.72 109.775 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 41.1 t -48.97 -39.93 28.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.151 -0.931 . . . . 1.65 111.776 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 62.0 m -57.66 -38.35 74.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.086 0.47 . . . . 1.54 110.771 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 46' ' ' VAL . . . . . 0.412 ' C ' ' H ' ' S' ' 48' ' ' SER . 60.5 t -74.93 -63.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.665 -0.698 . . . . 0.34 109.807 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 7.9 mt-10 -40.96 -20.66 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.2 -0.909 . . . . 2.44 112.785 178.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 48' ' ' SER . . . . . 0.659 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 34.0 t -86.92 -60.13 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.697 -0.401 . . . . 1.35 111.677 -177.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 49' ' ' ILE . . . . . 0.557 HD13 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -58.79 -19.11 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 1.02 111.517 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 50' ' ' LYS . . . . . 0.787 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -80.76 -61.17 2.05 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.267 -0.573 . . . . 2.09 112.446 -178.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 51' ' ' ASP . . . . . 0.787 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.4 OUTLIER -87.4 -40.69 14.18 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 114.386 1.254 . . . . 1.06 114.386 -178.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 52' ' ' LYS . . . . . 0.41 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 12.9 ttpp -73.59 -42.65 61.27 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.143 -0.623 . . . . 2.67 110.421 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 53' ' ' LEU . . . . . 0.551 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 3.1 mm? -80.24 -8.06 59.28 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.373 0.606 . . . . 1.48 109.428 178.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 54' ' ' SER . . . . . 0.501 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 43.8 t -44.51 -47.6 10.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.585 -1.188 . . . . 1.22 111.456 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.39 -24.43 1.54 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.853 -0.689 . . . . 0.52 112.309 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.89 108.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.862 -0.685 . . . . 1.13 112.481 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 89.3 p -81.19 126.43 31.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.697 0.284 . . . . 1.56 110.874 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 81.7 p -147.67 -25.73 0.37 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.444 -0.344 . . . . 1.95 111.688 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 59' ' ' SER . . . . . 0.477 ' HB2' ' HB3' ' S' ' 3' ' ' GLN . 67.1 m -65.5 -98.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.666 -0.243 . . . . 1.59 111.127 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . 0.616 ' HB2' ' HD2' ' S' ' 6' ' ' ARG . 27.0 tpt180 -88.49 23.41 2.24 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.242 0.544 . . . . 2.9 110.405 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.41 -14.94 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.686 -0.688 . . . . 1.74 111.641 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 49.7 m -69.32 -5.45 23.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.44 -0.345 . . . . 2.19 111.311 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 69.4 m -126.55 95.24 4.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.771 0.319 . . . . 2.62 111.142 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 64' ' ' TYR . . . . . 0.55 ' HA ' ' H3 ' ' S' ' 1' ' ' MET . 73.7 m-85 -86.34 134.62 33.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.13 -0.486 . . . . 6.37 110.547 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 65' ' ' THR . . . . . 0.583 HG22 ' HG2' ' S' ' 9' ' ' MET . 61.9 p -137.16 -63.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.449 -0.341 . . . . 2.28 111.809 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' S' ' 47' ' ' GLU . 3.8 mt -62.29 -45.14 94.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.462 -0.335 . . . . 2.19 110.868 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 67' ' ' GLU . . . . . 0.423 ' HB2' ' HE3' ' S' ' 1' ' ' MET . 43.5 tt0 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.309 -0.853 . . . . 3.55 110.842 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 1' ' ' MET . . . . . 0.666 ' SD ' ' HA ' ' S' ' 48' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 120.862 0.363 . . . . 1.83 111.056 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 2' ' ' ASP . . . . . 0.577 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 38.5 t70 -89.62 -111.91 0.07 Allowed 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.032 -0.531 . . . . 1.97 110.425 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 3' ' ' GLN . . . . . 0.528 ' HB2' ' HB2' ' S' ' 59' ' ' SER . 25.3 tt0 -80.0 -14.32 58.66 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 111.788 0.292 . . . . 2.41 111.788 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 4' ' ' GLU . . . . . 0.557 ' HG3' ' HB3' ' S' ' 1' ' ' MET . 0.2 OUTLIER -73.42 -17.25 61.28 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 118.829 -1.148 . . . . 1.37 111.62 -177.215 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 5' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' S' ' 9' ' ' MET . 48.8 m -62.54 -64.12 1.02 Allowed 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 119.168 -1.013 . . . . 1.63 108.921 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 6' ' ' ARG . . . . . 0.606 ' HD2' ' HB2' ' S' ' 60' ' ' ARG . 13.2 ptm180 -47.29 -63.89 0.93 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 112.277 0.473 . . . . 2.27 112.277 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 7' ' ' ASP . . . . . 0.512 ' HB3' ' NE2' ' S' ' 8' ' ' GLN . 0.1 OUTLIER -68.73 -50.48 50.38 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 114.935 1.458 . . . . 1.3 114.935 -177.355 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 8' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 1.8 mp0 -83.35 -59.93 2.3 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.558 0.577 . . . . 1.92 112.558 -177.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 9' ' ' MET . . . . . 0.568 ' HG2' HG23 ' S' ' 65' ' ' THR . 13.2 tpt -47.25 -47.15 24.87 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.589 -0.444 . . . . 1.39 111.442 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 10' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -69.93 -46.47 65.27 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.208 0.447 . . . . 3.85 112.208 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 11' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -77.34 -61.8 1.87 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.003 0.372 . . . . 2.0 112.003 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -45.27 -51.21 11.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.677 0.275 . . . . 0.89 110.43 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.32 -55.11 37.49 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.049 -0.722 . . . . 1.05 109.049 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.54 -57.0 1.95 Allowed 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.755 -0.657 . . . . 1.06 112.157 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -67.83 -19.25 65.04 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 113.068 0.766 . . . . 1.28 113.068 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.3 -32.87 20.83 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.786 0.803 . . . . 1.06 109.264 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 17' ' ' LYS . . . . . 0.65 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 31.1 mmtp -78.67 -34.02 46.58 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.231 -1.35 . . . . 2.03 110.163 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 18' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 15.0 t70 -79.33 -27.61 42.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.871 -0.604 . . . . 2.14 110.54 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -87.25 -67.21 0.84 Allowed 'General case' 0 C--O 1.249 1.037 0 C-N-CA 118.966 -1.094 . . . . 2.33 111.34 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 t -84.25 -31.78 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 CA-C-N 114.922 -1.035 . . . . 0.19 111.613 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 21' ' ' HIS . . . . . 0.65 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 5.9 t60 -83.68 -30.11 27.06 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 118.956 -1.098 . . . . 2.05 110.338 -178.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 22' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 14.0 t70 -57.29 -59.48 5.05 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 118.137 -1.425 . . . . 0.26 107.692 178.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 23' ' ' LYS . . . . . 0.453 ' HD3' ' HZ1' ' S' ' 28' ' ' LYS . 0.0 OUTLIER -57.87 -38.06 75.07 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 119.607 -0.837 . . . . 1.45 112.486 177.165 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 24' ' ' ILE . . . . . 0.623 ' HA ' ' HB2' ' S' ' 28' ' ' LYS . 39.2 mt -59.33 -65.57 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 112.499 0.555 . . . . 0.88 112.499 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 25' ' ' GLN . . . . . 0.667 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 33.9 mt-30 -36.04 -53.54 0.78 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.848 0.832 . . . . 1.83 109.252 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 26' ' ' GLU . . . . . 0.483 ' HB2' HD13 ' S' ' 27' ' ' LEU . 11.9 mm-40 -53.34 -64.95 0.66 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.199 -1.364 . . . . 2.39 111.234 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.665 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 4.8 mp -93.58 -59.47 2.0 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 116.091 1.886 . . . . 1.32 116.091 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.665 ' HD2' ' HB2' ' S' ' 27' ' ' LEU . 8.4 mptt -81.38 -9.06 59.81 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 117.104 2.261 . . . . 1.96 117.104 -172.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 29' ' ' ASP . . . . . 0.667 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 6.2 p-10 -34.71 -23.04 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.454 1.65 . . . . 2.17 115.454 -173.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 30' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' S' ' 28' ' ' LYS . 30.7 t70 -88.91 -73.66 0.49 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.36 0.982 . . . . 2.14 111.901 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 1.8 m -90.61 -58.51 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 113.382 0.882 . . . . 1.32 113.382 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.652 ' HA2' ' HB3' ' S' ' 28' ' ' LYS . . . -53.23 -15.78 4.1 Favored Glycine 0 CA--C 1.521 0.466 0 CA-C-N 115.559 -0.746 . . . . 0.21 112.239 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 33' ' ' ASN . . . . . 0.56 ' HA ' ' CG2' ' S' ' 24' ' ' ILE . 27.7 p-10 -53.19 -3.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.431 0.9 . . . . 2.43 113.431 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 34' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' S' ' 32' ' ' GLY . 22.2 tptm -85.19 -37.87 19.64 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.656 -0.418 . . . . 1.6 110.089 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.38 -37.39 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.503 -0.772 . . . . 1.04 112.297 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 36' ' ' ALA . . . . . 0.58 ' HB1' HD11 ' S' ' 24' ' ' ILE . . . -70.25 -65.72 0.69 Allowed 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.612 -0.435 . . . . 1.13 109.963 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -45.73 -20.81 0.09 Allowed 'General case' 0 C--O 1.232 0.17 0 N-CA-C 112.091 0.404 . . . . 2.24 112.091 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 38' ' ' VAL . . . . . . . . . . . . . 83.0 t -72.29 -53.46 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 0.45 110.505 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 39' ' ' ARG . . . . . 0.433 ' O ' ' HD3' ' S' ' 39' ' ' ARG . 0.0 OUTLIER -50.69 -38.0 44.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.968 -0.56 . . . . 1.46 110.815 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -76.29 -21.46 56.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.396 -0.366 . . . . 0.71 111.182 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.67 -56.86 16.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.99 110.655 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 3.0 m -61.3 -46.07 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.931 -0.577 . . . . 0.39 111.211 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 84.5 p -52.74 -51.66 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.401 -0.818 . . . . 1.72 109.66 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 44' ' ' SER . . . . . 0.499 ' HG ' HD21 ' S' ' 66' ' ' LEU . 44.9 t -48.83 -39.65 26.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.448 -0.797 . . . . 1.65 111.427 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 35.0 m -57.18 -37.6 72.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.179 0.514 . . . . 1.54 110.208 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 46' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 42.6 t -76.11 -63.29 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.408 -0.814 . . . . 0.34 109.609 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 1.0 OUTLIER -41.14 -20.96 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.383 -0.826 . . . . 2.44 112.626 178.273 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 48' ' ' SER . . . . . 0.666 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 51.2 m -86.58 -60.04 2.1 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.656 -0.418 . . . . 1.35 111.485 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 49' ' ' ILE . . . . . 0.548 HD13 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -58.96 -18.51 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.133 -0.485 . . . . 1.02 111.557 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 50' ' ' LYS . . . . . 0.804 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 11.8 ptpt -81.85 -61.06 2.03 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.6 0.593 . . . . 2.09 112.6 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 51' ' ' ASP . . . . . 0.804 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.3 OUTLIER -86.86 -42.29 13.35 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 114.478 1.288 . . . . 1.06 114.478 -177.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 52' ' ' LYS . . . . . 0.456 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 4.6 tmmm? -73.97 -38.38 64.19 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.341 -0.543 . . . . 2.67 110.265 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 53' ' ' LEU . . . . . 0.539 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 3.5 mm? -85.43 -7.78 58.74 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.311 0.577 . . . . 1.48 109.658 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 54' ' ' SER . . . . . 0.519 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 41.1 t -43.51 -39.76 3.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.659 -1.155 . . . . 1.22 111.592 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.05 -30.12 6.73 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.798 -0.715 . . . . 0.52 112.533 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.86 54.45 0.68 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.719 . . . . 1.13 112.483 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 57' ' ' SER . . . . . 0.457 ' HB2' ' HB2' ' S' ' 2' ' ' ASP . 77.1 p -58.32 103.65 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.822 0.344 . . . . 1.56 111.0 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 68.2 m -155.33 74.88 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 1.95 111.148 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 59' ' ' SER . . . . . 0.528 ' HB2' ' HB2' ' S' ' 3' ' ' GLN . 70.8 m -155.06 -90.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 1.59 110.872 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . 0.606 ' HB2' ' HD2' ' S' ' 6' ' ' ARG . 26.5 tpt180 -95.13 23.3 5.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.419 0.628 . . . . 2.9 110.302 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.25 -13.84 3.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.719 -0.673 . . . . 1.74 111.762 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -68.04 -6.1 20.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.417 -0.356 . . . . 2.19 111.391 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 66.5 p -131.8 93.06 3.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.905 0.383 . . . . 2.62 111.037 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 64' ' ' TYR . . . . . 0.542 ' HA ' ' H3 ' ' S' ' 1' ' ' MET . 32.9 p90 -85.32 136.16 33.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.011 -0.541 . . . . 6.37 110.689 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 65' ' ' THR . . . . . 0.568 HG23 ' HG2' ' S' ' 9' ' ' MET . 49.9 p -138.79 -60.06 0.6 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.425 -0.352 . . . . 2.28 111.679 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . 0.509 HD11 ' SD ' ' S' ' 1' ' ' MET . 5.4 mt -59.84 -50.8 72.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 2.19 111.153 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.276 -0.869 . . . . 3.55 111.006 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' S' S ' 1' ' ' MET . . . . . 0.636 ' HE1' ' HB2' ' S' ' 66' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 121.02 0.438 . . . . 1.83 111.472 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 2' ' ' ASP . . . . . 0.503 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 35.8 t70 -104.77 -119.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.195 0.813 . . . . 1.97 113.195 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 3' ' ' GLN . . . . . 0.641 ' HA ' ' HB3' ' S' ' 60' ' ' ARG . 12.8 pt20 -80.98 -12.48 59.37 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 113.243 0.831 . . . . 2.41 113.243 -176.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 4' ' ' GLU . . . . . 0.653 ' HG3' ' O ' ' S' ' 47' ' ' GLU . 0.0 OUTLIER -61.41 -21.62 64.27 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 118.837 -1.145 . . . . 1.37 111.209 -177.16 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 5' ' ' THR . . . . . 0.481 ' O ' ' HB3' ' S' ' 9' ' ' MET . 90.9 m -61.15 -63.04 1.42 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 119.558 -0.857 . . . . 1.63 108.967 179.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 6' ' ' ARG . . . . . 0.627 ' HD3' ' HB2' ' S' ' 60' ' ' ARG . 43.1 mtm180 -41.83 -65.85 0.41 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.703 -0.68 . . . . 2.27 112.522 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.78 -47.08 27.29 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.868 1.433 . . . . 1.3 114.868 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 8' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 11.5 mm100 -78.29 -61.31 2.04 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.252 -0.579 . . . . 1.92 111.566 -177.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 9' ' ' MET . . . . . 0.481 ' HB3' ' O ' ' S' ' 5' ' ' THR . 0.7 OUTLIER -46.88 -50.34 18.82 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.501 -0.48 . . . . 1.39 111.088 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 10' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -62.94 -44.24 96.62 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.272 0.471 . . . . 3.85 112.272 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 11' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -83.27 -61.94 1.72 Allowed 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.537 0.569 . . . . 2.0 112.537 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.5 -52.97 7.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.754 0.311 . . . . 0.89 110.682 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.97 -55.83 29.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.08 -0.711 . . . . 1.05 109.08 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.77 -57.57 1.89 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.602 -0.726 . . . . 1.06 112.258 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.81 -19.4 65.87 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.135 0.791 . . . . 1.28 113.135 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.07 -34.86 20.58 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.663 0.744 . . . . 1.06 109.392 -177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 17' ' ' LYS . . . . . 0.642 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 71.4 mmtt -78.9 -32.55 45.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.489 -1.232 . . . . 2.03 110.354 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 18' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 2.5 m-20 -79.35 -28.36 42.0 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.491 -0.484 . . . . 2.14 110.343 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -87.45 -65.79 0.98 Allowed 'General case' 0 C--O 1.249 1.068 0 C-N-CA 119.277 -0.969 . . . . 2.33 111.175 -177.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 20' ' ' VAL . . . . . 0.41 ' O ' ' HD2' ' S' ' 23' ' ' LYS . 2.1 t -83.96 -32.07 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 CA-C-N 114.907 -1.042 . . . . 0.19 111.841 -177.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 21' ' ' HIS . . . . . 0.642 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 2.1 t-160 -83.0 -31.32 27.53 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 118.738 -1.185 . . . . 2.05 109.968 -178.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 22' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 28.9 t70 -56.7 -60.16 3.95 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 118.13 -1.428 . . . . 0.26 108.027 178.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 23' ' ' LYS . . . . . 0.438 ' HZ3' ' HG2' ' S' ' 23' ' ' LYS . 0.0 OUTLIER -58.79 -38.09 77.76 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 119.52 -0.872 . . . . 1.45 113.103 177.2 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 24' ' ' ILE . . . . . 0.657 ' HA ' ' HB2' ' S' ' 28' ' ' LYS . 54.7 mt -61.37 -66.0 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 C-N-CA 120.395 -0.522 . . . . 0.88 112.397 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 25' ' ' GLN . . . . . 0.625 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 15.2 mt-30 -35.96 -55.26 0.75 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.886 0.85 . . . . 1.83 109.488 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -53.47 -64.69 0.74 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.197 -1.365 . . . . 2.39 111.238 178.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.607 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 16.1 mt -93.16 -59.97 1.91 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 116.289 1.959 . . . . 1.32 116.289 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.703 ' HB3' ' HA2' ' S' ' 32' ' ' GLY . 1.9 mptp? -81.39 -8.3 59.71 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 116.895 2.184 . . . . 1.96 116.895 -172.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 29' ' ' ASP . . . . . 0.625 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 6.6 p-10 -34.35 -22.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.449 1.648 . . . . 2.17 115.449 -173.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 30' ' ' ASP . . . . . 0.542 ' N ' ' O ' ' S' ' 28' ' ' LYS . 14.6 t70 -88.47 -74.1 0.47 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 119.604 1.093 . . . . 2.14 111.879 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 31' ' ' VAL . . . . . 0.523 ' CG1' ' H ' ' S' ' 32' ' ' GLY . 6.5 p -89.32 -58.59 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.441 0.904 . . . . 1.32 113.441 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.703 ' HA2' ' HB3' ' S' ' 28' ' ' LYS . . . -51.35 -16.13 2.11 Favored Glycine 0 CA--C 1.522 0.519 0 CA-C-N 115.055 -0.975 . . . . 0.21 112.465 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 33' ' ' ASN . . . . . 0.617 HD22 ' HE2' ' S' ' 21' ' ' HIS . 19.9 t-20 -54.4 -4.59 0.06 Allowed 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.958 0.725 . . . . 2.43 112.958 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 34' ' ' LYS . . . . . 0.504 ' HD2' ' HB2' ' S' ' 37' ' ' GLU . 22.3 tptm -86.26 -21.32 27.45 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.606 -0.437 . . . . 1.6 111.07 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 35' ' ' ALA . . . . . 0.402 ' HB2' HD13 ' S' ' 24' ' ' ILE . . . -62.62 -35.19 78.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.18 -0.463 . . . . 1.04 111.603 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 36' ' ' ALA . . . . . 0.457 ' HB1' HD11 ' S' ' 24' ' ' ILE . . . -80.99 -21.18 40.47 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.365 0.602 . . . . 1.13 110.06 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 37' ' ' GLU . . . . . 0.504 ' HB2' ' HD2' ' S' ' 34' ' ' LYS . 15.8 mm-40 -84.3 -30.0 25.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.148 -0.933 . . . . 2.24 109.544 -178.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 38' ' ' VAL . . . . . . . . . . . . . 80.3 t -76.71 -46.03 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 115.44 -0.8 . . . . 0.45 109.836 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -56.08 -36.87 68.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.035 -0.529 . . . . 1.46 110.515 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -75.24 -24.03 57.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.983 0.421 . . . . 0.71 110.1 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.06 -50.58 70.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.893 -0.594 . . . . 0.99 111.46 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -62.85 -46.24 96.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 121.145 0.497 . . . . 0.39 111.046 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 71.0 m -52.67 -52.17 57.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.72 -0.673 . . . . 1.72 109.64 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 66.4 m -48.73 -43.22 37.25 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.213 -0.903 . . . . 1.65 112.293 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 45' ' ' THR . . . . . 0.41 ' HG1' ' N ' ' S' ' 46' ' ' VAL . 24.7 p -56.85 -35.08 68.45 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.965 0.412 . . . . 1.54 110.764 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 46' ' ' VAL . . . . . 0.44 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 60.4 t -75.09 -63.33 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.849 -0.614 . . . . 0.34 109.471 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . 0.653 ' O ' ' HG3' ' S' ' 4' ' ' GLU . 31.2 mt-10 -40.36 -22.52 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.177 -0.92 . . . . 2.44 112.311 178.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 48' ' ' SER . . . . . 0.605 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 71.2 m -85.79 -59.61 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.581 -0.448 . . . . 1.35 111.748 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 49' ' ' ILE . . . . . 0.553 HD13 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -62.11 -19.07 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.894 0.378 . . . . 1.02 111.662 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 50' ' ' LYS . . . . . 0.809 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -79.79 -61.19 2.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.669 0.618 . . . . 2.09 112.669 -178.458 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 51' ' ' ASP . . . . . 0.809 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.3 OUTLIER -86.9 -37.71 17.4 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 115.128 1.529 . . . . 1.06 115.128 -178.061 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 52' ' ' LYS . . . . . 0.601 ' HB2' ' HA ' ' S' ' 1' ' ' MET . 20.2 ttmm -79.13 -36.55 40.39 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.003 -0.679 . . . . 2.67 110.849 -178.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 53' ' ' LEU . . . . . 0.511 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.1 mm? -86.1 -7.58 58.49 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.709 -0.849 . . . . 1.48 108.709 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 54' ' ' SER . . . . . 0.509 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 33.9 t -43.07 -43.74 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.194 -1.366 . . . . 1.22 111.57 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.46 -12.52 12.33 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.52 112.535 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -117.35 -70.7 0.41 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.816 -0.707 . . . . 1.13 112.475 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 57' ' ' SER . . . . . 0.408 ' HA ' ' CG ' ' S' ' 2' ' ' ASP . 29.7 t 54.79 86.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.79 0.329 . . . . 1.56 111.031 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 47.8 t -145.85 -21.81 0.46 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 1.95 111.381 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 59' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' S' ' 3' ' ' GLN . 35.8 t -67.12 -91.07 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.652 0.263 . . . . 1.59 111.123 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . 0.641 ' HB3' ' HA ' ' S' ' 3' ' ' GLN . 4.7 tpp180 -94.18 43.82 1.11 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.258 0.551 . . . . 2.9 110.516 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.34 -7.94 54.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.951 -0.568 . . . . 1.74 111.518 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 54.6 m -89.34 -1.93 58.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 2.19 111.508 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 37.4 t -101.88 141.54 34.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 2.62 111.186 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -132.01 103.06 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.037 -0.529 . . . . 6.37 110.506 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 65' ' ' THR . . . . . 0.45 ' OG1' ' HG3' ' S' ' 9' ' ' MET . 66.4 p -130.32 -52.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 2.28 111.627 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . 0.636 ' HB2' ' HE1' ' S' ' 1' ' ' MET . 8.5 mp -49.82 -59.25 4.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.214 -0.448 . . . . 2.19 110.566 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.268 -0.872 . . . . 3.55 110.839 179.729 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' S' S ' 1' ' ' MET . . . . . 0.641 ' SD ' ' HB2' ' S' ' 52' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.742 0.306 . . . . 1.83 111.147 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 2' ' ' ASP . . . . . 0.524 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 2.1 m-20 -89.32 -109.81 0.08 Allowed 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.134 -0.485 . . . . 1.97 110.21 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 3' ' ' GLN . . . . . 0.577 ' HB2' ' HB2' ' S' ' 59' ' ' SER . 50.0 tt0 -79.8 -14.6 58.57 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 120.851 0.358 . . . . 2.41 111.22 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 4' ' ' GLU . . . . . 0.609 ' HG3' ' HB3' ' S' ' 1' ' ' MET . 0.1 OUTLIER -75.43 -16.17 60.37 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 118.853 -1.139 . . . . 1.37 111.668 -177.248 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 5' ' ' THR . . . . . 0.505 ' O ' ' HB3' ' S' ' 9' ' ' MET . 58.5 m -61.49 -63.58 1.23 Allowed 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 118.939 -1.104 . . . . 1.63 108.583 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 6' ' ' ARG . . . . . 0.43 ' HG3' ' H ' ' S' ' 7' ' ' ASP . 5.4 ptm180 -46.68 -64.88 0.66 Allowed 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.743 -0.662 . . . . 2.27 112.013 178.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 7' ' ' ASP . . . . . 0.43 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.1 OUTLIER -68.99 -51.24 41.44 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 114.987 1.477 . . . . 1.3 114.987 -177.468 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 8' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 13.1 mm100 -81.95 -61.62 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.528 0.566 . . . . 1.92 112.528 -176.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 9' ' ' MET . . . . . 0.505 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.4 tpt -46.27 -49.52 17.26 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.615 -0.434 . . . . 1.39 111.526 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 10' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 32.6 mmmt -65.89 -44.15 86.16 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.319 0.488 . . . . 3.85 112.319 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 11' ' ' ASN . . . . . 0.401 ' O ' ' HB1' ' S' ' 14' ' ' ALA . 2.7 t-20 -83.47 -61.97 1.7 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.665 0.617 . . . . 2.0 112.665 -178.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.74 -53.8 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.722 0.296 . . . . 0.89 110.718 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.09 -54.48 42.53 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.157 -0.683 . . . . 1.05 109.157 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 14' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' S' ' 11' ' ' ASN . . . -41.24 -54.93 2.83 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.671 -0.695 . . . . 1.06 112.475 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.62 -19.27 64.43 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 113.131 0.789 . . . . 1.28 113.131 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.2 -30.91 22.05 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.738 0.78 . . . . 1.06 108.923 -178.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 17' ' ' LYS . . . . . 0.727 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 69.0 mmtt -78.47 -33.62 48.21 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 114.242 -1.344 . . . . 2.03 109.97 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 18' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 17.6 t70 -79.35 -27.48 41.99 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.874 -0.603 . . . . 2.14 110.229 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -87.4 -66.85 0.87 Allowed 'General case' 0 C--O 1.248 1.021 0 C-N-CA 119.426 -0.91 . . . . 2.33 111.564 -176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 t -84.68 -29.55 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 115.146 -0.934 . . . . 0.19 111.803 -177.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 21' ' ' HIS . . . . . 0.727 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 2.8 t60 -83.2 -31.66 26.96 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 118.906 -1.118 . . . . 2.05 109.625 -178.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 22' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 15.9 t70 -55.62 -60.52 3.32 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 118.217 -1.393 . . . . 0.26 107.472 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -54.53 -41.58 69.86 Favored 'General case' 0 C--N 1.344 0.334 0 N-CA-C 113.036 0.754 . . . . 1.45 113.036 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 24' ' ' ILE . . . . . 0.651 ' HA ' ' HB2' ' S' ' 28' ' ' LYS . 69.0 mt -61.8 -66.29 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 113.146 0.795 . . . . 0.88 113.146 -177.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 25' ' ' GLN . . . . . 0.576 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 32.7 mt-30 -35.77 -56.44 0.69 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.889 0.852 . . . . 1.83 109.537 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -52.85 -64.79 0.7 Allowed 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.1 -1.409 . . . . 2.39 111.213 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.582 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 15.4 mt -93.39 -60.35 1.8 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 116.606 2.076 . . . . 1.32 116.606 -178.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.677 ' HB3' ' HA2' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.17 -8.48 59.65 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 117.121 2.267 . . . . 1.96 117.121 -172.395 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 29' ' ' ASP . . . . . 0.576 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 18.2 t70 -34.65 -21.37 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.177 1.547 . . . . 2.17 115.177 -173.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 30' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' S' ' 28' ' ' LYS . 8.8 m-20 -88.88 -73.38 0.5 Allowed 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.4 1.0 . . . . 2.14 111.771 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 31' ' ' VAL . . . . . 0.527 ' CG1' ' H ' ' S' ' 32' ' ' GLY . 5.9 p -91.44 -59.23 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 113.946 1.091 . . . . 1.32 113.946 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.677 ' HA2' ' HB3' ' S' ' 28' ' ' LYS . . . -50.86 -15.91 1.56 Allowed Glycine 0 CA--C 1.523 0.58 0 CA-C-N 115.309 -0.86 . . . . 0.21 112.594 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 33' ' ' ASN . . . . . 0.505 ' HA ' ' CG2' ' S' ' 24' ' ' ILE . 3.3 t30 -53.67 -3.53 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.255 0.835 . . . . 2.43 113.255 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 34' ' ' LYS . . . . . 0.446 ' H ' ' C ' ' S' ' 32' ' ' GLY . 4.8 tmtp? -85.49 -21.42 28.67 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.599 -0.44 . . . . 1.6 111.24 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.65 -33.56 75.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.275 -0.42 . . . . 1.04 111.942 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 36' ' ' ALA . . . . . 0.458 ' HB1' HD11 ' S' ' 24' ' ' ILE . . . -80.71 -21.54 41.13 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.477 0.656 . . . . 1.13 109.929 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 37' ' ' GLU . . . . . 0.431 ' HB2' ' HD3' ' S' ' 34' ' ' LYS . 45.3 mt-10 -83.76 -29.42 27.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.128 -0.942 . . . . 2.24 109.686 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 38' ' ' VAL . . . . . . . . . . . . . 69.5 t -74.46 -42.22 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 109.0 -0.741 . . . . 0.45 109.0 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -50.29 -49.0 54.76 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.673 -0.694 . . . . 1.46 109.867 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.86 -22.04 62.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.416 . . . . 0.71 111.368 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.74 -57.34 10.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.579 -0.282 . . . . 0.99 111.495 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 m -57.89 -46.43 87.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.181 0.515 . . . . 0.39 111.079 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 49.8 m -52.06 -51.34 58.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.401 -0.818 . . . . 1.72 109.741 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -47.71 -39.19 16.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.324 -0.853 . . . . 1.65 111.541 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 62.9 m -59.62 -40.17 86.66 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.925 0.393 . . . . 1.54 110.781 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 46' ' ' VAL . . . . . 0.422 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 63.3 t -75.15 -61.31 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.838 -0.619 . . . . 0.34 109.545 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 16.4 mt-10 -39.94 -22.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.856 -1.066 . . . . 2.44 112.289 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 48' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' S' ' 52' ' ' LYS . 43.2 m -87.01 -60.24 2.03 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.663 -0.415 . . . . 1.35 110.942 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 49' ' ' ILE . . . . . 0.624 ' HA ' ' HB2' ' S' ' 53' ' ' LEU . 2.3 pp -58.65 -19.96 15.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.77 0.319 . . . . 1.02 111.629 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 50' ' ' LYS . . . . . 0.807 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -80.6 -61.37 1.99 Allowed 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.333 -0.547 . . . . 2.09 111.822 -179.197 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 51' ' ' ASP . . . . . 0.807 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.2 OUTLIER -86.38 -39.12 16.72 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 113.279 0.844 . . . . 1.06 113.279 -179.073 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 52' ' ' LYS . . . . . 0.641 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 5.6 tmmm? -71.42 -45.1 63.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.698 0.285 . . . . 2.67 110.456 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 53' ' ' LEU . . . . . 0.624 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 0.3 OUTLIER -82.62 -5.86 59.04 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.269 0.557 . . . . 1.48 109.578 178.758 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 54' ' ' SER . . . . . 0.499 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 35.8 t -45.11 -32.1 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.815 -1.084 . . . . 1.22 111.798 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.6 -46.84 1.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.962 -0.637 . . . . 0.52 111.658 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -107.76 56.96 0.46 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.943 -0.646 . . . . 1.13 111.778 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 51.7 p -48.48 107.85 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.364 . . . . 1.56 111.318 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 70.1 m -158.18 -152.21 0.33 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.98 -0.554 . . . . 1.95 110.994 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 59' ' ' SER . . . . . 0.577 ' HB2' ' HB2' ' S' ' 3' ' ' GLN . 68.5 m 65.34 -107.91 0.15 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.313 -0.403 . . . . 1.59 111.14 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . 0.524 ' HB3' ' O ' ' S' ' 2' ' ' ASP . 0.1 OUTLIER -82.29 38.12 0.53 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.85 0.357 . . . . 2.9 110.471 179.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.47 -19.94 58.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 1.74 111.487 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 79.9 p -69.05 -3.74 14.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.442 -0.345 . . . . 2.19 110.934 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 63' ' ' SER . . . . . 0.46 ' HB2' ' HD2' ' S' ' 60' ' ' ARG . 29.2 t -77.38 174.71 10.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 2.62 111.127 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -163.56 52.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 6.37 110.542 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 65' ' ' THR . . . . . . . . . . . . . 60.7 p -103.24 -63.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 2.28 111.507 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . 0.513 ' H ' ' H3 ' ' S' ' 1' ' ' MET . 11.1 mp -67.09 -37.5 84.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.42 -0.355 . . . . 2.19 110.947 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.279 -0.867 . . . . 3.55 110.803 179.665 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' S' S ' 1' ' ' MET . . . . . 0.561 ' SD ' ' HA ' ' S' ' 48' ' ' SER . 1.3 mpp? . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.803 0.335 . . . . 1.83 111.343 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 2' ' ' ASP . . . . . 0.527 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 37.6 t70 -107.64 -109.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.917 0.71 . . . . 1.97 112.917 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 3' ' ' GLN . . . . . 0.609 ' HB2' ' HB3' ' S' ' 59' ' ' SER . 49.4 tt0 -79.68 -13.75 59.26 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 112.545 0.572 . . . . 2.41 112.545 -177.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 4' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 1.3 pp20? -67.46 -25.85 66.09 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 119.129 -1.028 . . . . 1.37 112.252 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 5' ' ' THR . . . . . 0.646 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 0.0 OUTLIER -59.7 -63.69 1.21 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 119.171 -1.012 . . . . 1.63 110.261 -179.737 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 6' ' ' ARG . . . . . 0.62 ' H ' HG21 ' S' ' 5' ' ' THR . 12.2 ptm180 -45.27 -65.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.932 0.715 . . . . 2.27 112.932 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 7' ' ' ASP . . . . . 0.511 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.9 OUTLIER -71.52 -46.37 59.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.822 1.416 . . . . 1.3 114.822 -177.051 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 8' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 80.2 mm-40 -83.39 -60.41 2.14 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.331 0.493 . . . . 1.92 112.331 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 9' ' ' MET . . . . . 0.646 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 0.0 OUTLIER -48.44 -49.82 33.7 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.776 -0.37 . . . . 1.39 111.59 -178.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 10' ' ' LYS . . . . . 0.633 ' HB3' ' HZ3' ' S' ' 10' ' ' LYS . 3.4 mmmp? -67.49 -42.37 83.01 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.429 0.529 . . . . 3.85 112.429 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 11' ' ' ASN . . . . . 0.407 ' O ' ' HB1' ' S' ' 14' ' ' ALA . 2.8 t-20 -83.23 -61.56 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.385 0.513 . . . . 2.0 112.385 -178.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.81 -53.22 7.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.849 0.357 . . . . 0.89 110.59 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.87 -53.68 49.13 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.112 -0.699 . . . . 1.05 109.112 178.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 14' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' S' ' 11' ' ' ASN . . . -41.07 -55.61 2.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.627 -0.715 . . . . 1.06 112.214 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -66.45 -19.01 65.68 Favored 'General case' 0 N--CA 1.461 0.08 0 N-CA-C 113.074 0.768 . . . . 1.28 113.074 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 16' ' ' ALA . . . . . 0.415 ' HB3' ' HD2' ' S' ' 39' ' ' ARG . . . -85.76 -31.8 22.19 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.636 0.732 . . . . 1.06 109.025 -177.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 17' ' ' LYS . . . . . 0.635 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 41.8 mmtm -78.57 -33.47 47.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.512 -1.222 . . . . 2.03 110.057 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 18' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 12.1 m-20 -77.75 -29.23 50.98 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.073 -0.512 . . . . 2.14 110.32 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -87.23 -66.2 0.93 Allowed 'General case' 0 C--O 1.248 1.012 0 C-N-CA 119.373 -0.931 . . . . 2.33 111.411 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 20' ' ' VAL . . . . . 0.472 ' HB ' ' HA ' ' S' ' 36' ' ' ALA . 3.5 t -84.14 -31.03 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-N 115.154 -0.93 . . . . 0.19 111.94 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 21' ' ' HIS . . . . . 0.635 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 7.4 t60 -83.03 -30.91 27.71 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 118.854 -1.138 . . . . 2.05 110.049 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 22' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 14.7 t70 -57.41 -60.59 3.41 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 118.164 -1.415 . . . . 0.26 107.722 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -53.3 -39.91 64.37 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 119.759 -0.776 . . . . 1.45 112.733 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 24' ' ' ILE . . . . . 0.613 ' HA ' ' HB2' ' S' ' 28' ' ' LYS . 62.2 mt -62.73 -66.59 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 113.357 0.873 . . . . 0.88 113.357 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 25' ' ' GLN . . . . . 0.627 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 7.0 mt-30 -35.86 -55.18 0.74 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.957 0.884 . . . . 1.83 109.362 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -53.3 -64.63 0.76 Allowed 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 113.971 -1.468 . . . . 2.39 111.205 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.559 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 12.3 mt -93.53 -60.13 1.85 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.579 2.066 . . . . 1.32 116.579 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.729 ' HB3' ' HA2' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.86 -7.96 59.62 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 117.089 2.255 . . . . 1.96 117.089 -172.504 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 29' ' ' ASP . . . . . 0.627 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 20.4 t70 -34.64 -22.3 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.598 1.703 . . . . 2.17 115.598 -173.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 30' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' S' ' 28' ' ' LYS . 17.1 t70 -88.59 -74.02 0.48 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.417 1.008 . . . . 2.14 112.058 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 31' ' ' VAL . . . . . 0.525 ' CG1' ' H ' ' S' ' 32' ' ' GLY . 5.1 p -88.17 -58.75 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 113.462 0.912 . . . . 1.32 113.462 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.729 ' HA2' ' HB3' ' S' ' 28' ' ' LYS . . . -54.47 -15.99 6.48 Favored Glycine 0 C--N 1.314 -0.678 0 CA-C-N 114.948 -1.024 . . . . 0.21 112.356 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 33' ' ' ASN . . . . . 0.594 ' HA ' ' CG2' ' S' ' 24' ' ' ILE . 28.4 p-10 -53.66 -4.49 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.89 1.07 . . . . 2.43 113.89 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 34' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' S' ' 34' ' ' LYS . 1.4 tmtp? -85.11 -39.77 17.54 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.238 -0.585 . . . . 1.6 109.552 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -39.68 -36.6 0.43 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.435 -0.802 . . . . 1.04 112.319 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 36' ' ' ALA . . . . . 0.584 ' HB1' HD11 ' S' ' 24' ' ' ILE . . . -66.93 -64.73 0.79 Allowed 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.992 -0.744 . . . . 1.13 108.992 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -45.1 -20.6 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.873 -0.603 . . . . 2.24 111.926 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 38' ' ' VAL . . . . . . . . . . . . . 65.5 t -71.36 -52.34 27.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 110.046 -0.353 . . . . 0.45 110.046 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 39' ' ' ARG . . . . . 0.433 ' O ' ' HD3' ' S' ' 39' ' ' ARG . 4.0 tmt_? -50.2 -33.94 21.07 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.989 -0.551 . . . . 1.46 110.367 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.38 -26.61 55.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.156 -0.474 . . . . 0.71 111.29 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.09 -52.9 63.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 0.99 111.228 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 3.5 m -64.83 -48.08 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.029 0.442 . . . . 0.39 111.492 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -53.55 -54.91 30.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.683 -0.69 . . . . 1.72 110.438 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 61.2 m -51.06 -37.51 45.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.454 -0.794 . . . . 1.65 111.535 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 52.5 m -57.7 -37.44 73.49 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.194 0.521 . . . . 1.54 110.24 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 46' ' ' VAL . . . . . 0.463 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 60.5 t -76.1 -64.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.303 -0.862 . . . . 0.34 109.712 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 2.6 mp0 -41.25 -20.87 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.271 -0.877 . . . . 2.44 112.563 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 48' ' ' SER . . . . . 0.561 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 46.7 t -86.16 -59.66 2.23 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.841 -0.344 . . . . 1.35 111.455 -177.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 49' ' ' ILE . . . . . 0.563 ' HA ' ' HB2' ' S' ' 53' ' ' LEU . 2.5 pp -62.93 -18.72 21.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.13 -0.487 . . . . 1.02 111.831 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 50' ' ' LYS . . . . . 0.806 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 6.0 ptpt -82.02 -60.34 2.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.983 0.734 . . . . 2.09 112.983 -178.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 51' ' ' ASP . . . . . 0.806 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.6 OUTLIER -86.53 -39.59 16.07 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 114.831 1.419 . . . . 1.06 114.831 -177.508 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 52' ' ' LYS . . . . . 0.539 ' HB2' ' HA ' ' S' ' 1' ' ' MET . 5.9 tmmm? -79.59 -39.44 31.67 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.06 -0.656 . . . . 2.67 110.524 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 53' ' ' LEU . . . . . 0.563 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 2.5 mm? -81.52 -7.57 59.6 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 108.774 -0.824 . . . . 1.48 108.774 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 54' ' ' SER . . . . . . . . . . . . . 26.5 p -43.08 -37.19 1.89 Allowed 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.258 -1.337 . . . . 1.22 111.658 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.41 -6.22 33.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.83 -0.7 . . . . 0.52 112.554 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.11 -59.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 1.13 112.602 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 28.5 t 56.24 86.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.833 0.349 . . . . 1.56 110.903 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 48.0 t -147.86 81.91 1.5 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.211 -0.449 . . . . 1.95 111.325 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 59' ' ' SER . . . . . 0.609 ' HB3' ' HB2' ' S' ' 3' ' ' GLN . 36.1 t -171.0 -84.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.158 -0.474 . . . . 1.59 110.813 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . 0.603 ' HD2' ' HD2' ' S' ' 6' ' ' ARG . 6.2 tpm_? -103.47 23.57 12.38 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.364 0.602 . . . . 2.9 110.388 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.97 11.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.829 -0.623 . . . . 1.74 111.652 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 62' ' ' SER . . . . . 0.451 ' H ' ' C ' ' S' ' 60' ' ' ARG . 47.7 t -56.66 -66.17 0.49 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.787 0.327 . . . . 2.19 111.141 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 80.3 p -172.8 -176.76 1.52 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.171 -0.468 . . . . 2.62 110.872 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 44.9 t80 57.02 90.8 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.03 -0.532 . . . . 6.37 111.091 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 65' ' ' THR . . . . . 0.557 HG22 ' H2 ' ' S' ' 1' ' ' MET . 24.4 p -141.6 -168.86 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.885 0.374 . . . . 2.28 111.386 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . 0.407 ' CG ' ' HE2' ' S' ' 1' ' ' MET . 0.9 OUTLIER -56.73 -31.04 64.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.039 -0.528 . . . . 2.19 110.375 179.711 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 67' ' ' GLU . . . . . 0.413 ' HG3' ' HE3' ' S' ' 1' ' ' MET . 43.7 mt-10 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.192 -0.908 . . . . 3.55 110.952 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 1' ' ' MET . . . . . 0.652 ' SD ' ' HB2' ' S' ' 52' ' ' LYS . 5.0 mpp? . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.979 0.419 . . . . 1.83 111.336 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 2' ' ' ASP . . . . . 0.577 ' HB3' ' N ' ' S' ' 60' ' ' ARG . 6.3 m-20 -152.22 -132.92 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.756 -0.656 . . . . 1.97 112.587 -178.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 3' ' ' GLN . . . . . 0.665 ' H ' ' H ' ' S' ' 60' ' ' ARG . 53.8 tt0 -32.63 -29.59 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.98 1.844 . . . . 2.41 115.98 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 4' ' ' GLU . . . . . 0.612 ' HB2' ' HD2' ' S' ' 50' ' ' LYS . 0.4 OUTLIER -60.6 -33.01 72.12 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 118.214 -1.394 . . . . 1.37 109.698 -179.474 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 5' ' ' THR . . . . . 0.483 ' O ' ' HB3' ' S' ' 9' ' ' MET . 59.4 m -51.7 -60.7 2.87 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.684 -0.689 . . . . 1.63 109.48 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 6' ' ' ARG . . . . . 0.575 ' HD2' ' HD3' ' S' ' 60' ' ' ARG . 51.6 mtp180 -41.07 -65.93 0.38 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.843 0.683 . . . . 2.27 112.843 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -74.2 -47.53 34.9 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.041 1.126 . . . . 1.3 114.041 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 8' ' ' GLN . . . . . 0.43 ' HG3' ' HE3' ' S' ' 50' ' ' LYS . 26.0 mm-40 -80.32 -64.27 1.23 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.184 0.438 . . . . 1.92 112.184 -177.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 9' ' ' MET . . . . . 0.483 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.2 tpt -48.16 -45.9 33.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.301 0.482 . . . . 1.39 112.301 -178.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 10' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 56.8 mtpt -71.56 -42.94 67.2 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.449 -0.5 . . . . 3.85 112.237 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 11' ' ' ASN . . . . . 0.422 ' O ' ' HB1' ' S' ' 14' ' ' ALA . 57.8 t30 -78.49 -62.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.992 0.367 . . . . 2.0 111.992 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.77 -53.77 9.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.605 0.24 . . . . 0.89 110.551 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.22 -52.6 58.4 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.878 -0.786 . . . . 1.05 108.878 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 14' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' S' ' 11' ' ' ASN . . . -44.4 -49.33 9.73 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.562 -0.744 . . . . 1.06 111.902 177.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -67.95 -20.31 65.05 Favored 'General case' 0 C--N 1.337 0.064 0 N-CA-C 112.514 0.561 . . . . 1.28 112.514 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 16' ' ' ALA . . . . . 0.428 ' HB3' ' HD2' ' S' ' 39' ' ' ARG . . . -86.76 -31.05 21.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.702 0.763 . . . . 1.06 109.318 -177.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 17' ' ' LYS . . . . . 0.704 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 71.3 mmtt -78.4 -35.56 46.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.326 -1.307 . . . . 2.03 110.427 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 18' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 18.8 t70 -79.35 -29.51 42.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.96 -0.564 . . . . 2.14 110.586 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -87.44 -66.65 0.89 Allowed 'General case' 0 C--O 1.249 1.055 0 C-N-CA 119.272 -0.971 . . . . 2.33 111.558 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 20' ' ' VAL . . . . . 0.425 ' HB ' ' HA ' ' S' ' 36' ' ' ALA . 2.5 t -84.07 -30.8 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 114.97 -1.014 . . . . 0.19 112.019 -177.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 21' ' ' HIS . . . . . 0.704 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.2 t-80 -82.97 -31.24 27.7 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 118.873 -1.131 . . . . 2.05 109.775 -178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 22' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 15.7 t70 -55.65 -60.34 3.58 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 117.992 -1.483 . . . . 0.26 107.687 178.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -40.77 78.88 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 119.477 -0.889 . . . . 1.45 113.164 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 24' ' ' ILE . . . . . 0.608 ' HA ' ' HB2' ' S' ' 28' ' ' LYS . 61.2 mt -59.53 -66.33 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.142 0 N-CA-C 112.738 0.644 . . . . 0.88 112.738 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 25' ' ' GLN . . . . . 0.618 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 31.2 mt-30 -35.57 -54.14 0.69 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.919 0.866 . . . . 1.83 109.355 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -54.39 -64.84 0.7 Allowed 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 113.994 -1.457 . . . . 2.39 111.061 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.621 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 11.3 mt -93.42 -60.1 1.86 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 116.524 2.046 . . . . 1.32 116.524 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.737 ' HB3' ' HA2' ' S' ' 32' ' ' GLY . 2.4 mptp? -82.4 -8.86 59.62 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 117.538 2.422 . . . . 1.96 117.538 -172.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 29' ' ' ASP . . . . . 0.618 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 4.7 p-10 -34.22 -20.63 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.757 1.762 . . . . 2.17 115.757 -173.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 30' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' S' ' 28' ' ' LYS . 8.8 m-20 -89.02 -73.47 0.5 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.562 1.074 . . . . 2.14 111.917 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 1.7 m -87.96 -57.43 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 115.021 -0.99 . . . . 1.32 113.417 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.737 ' HA2' ' HB3' ' S' ' 28' ' ' LYS . . . -55.65 -14.78 7.6 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-N 115.502 -0.772 . . . . 0.21 112.404 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 33' ' ' ASN . . . . . 0.505 ' HA ' ' CG2' ' S' ' 24' ' ' ILE . 25.7 p-10 -50.25 -11.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.655 0.983 . . . . 2.43 113.655 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 34' ' ' LYS . . . . . 0.546 ' HD2' ' HB2' ' S' ' 37' ' ' GLU . 7.6 tptm -84.81 -29.48 25.35 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.214 -0.594 . . . . 1.6 110.813 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 35' ' ' ALA . . . . . 0.418 ' HB2' HD13 ' S' ' 24' ' ' ILE . . . -49.23 -38.45 26.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.441 -0.345 . . . . 1.04 111.682 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 36' ' ' ALA . . . . . 0.451 ' HB1' HD11 ' S' ' 24' ' ' ILE . . . -80.13 -22.67 41.83 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.729 0.776 . . . . 1.13 109.805 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 37' ' ' GLU . . . . . 0.546 ' HB2' ' HD2' ' S' ' 34' ' ' LYS . 16.8 mm-40 -84.94 -21.49 29.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.869 -1.059 . . . . 2.24 109.298 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 38' ' ' VAL . . . . . 0.463 ' N ' ' HE2' ' S' ' 34' ' ' LYS . 74.3 t -71.05 -47.46 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 108.244 -1.021 . . . . 0.45 108.244 178.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 39' ' ' ARG . . . . . 0.428 ' HD2' ' HB3' ' S' ' 16' ' ' ALA . 1.6 tmt_? -60.71 -27.55 67.98 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.079 -1.082 . . . . 1.46 108.079 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.69 -23.59 56.18 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.846 -1.07 . . . . 0.71 110.244 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.71 -57.29 3.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.667 -0.697 . . . . 0.99 111.533 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 m -51.5 -46.92 36.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.012 -0.54 . . . . 0.39 111.636 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 48.3 t -54.45 -57.13 12.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.013 -0.54 . . . . 1.72 110.086 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 44.9 t -47.76 -39.31 17.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.487 -0.779 . . . . 1.65 111.547 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 32.3 m -57.2 -37.75 72.65 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.144 0.497 . . . . 1.54 110.723 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 46' ' ' VAL . . . . . 0.413 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 97.0 t -77.06 -63.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.555 -0.748 . . . . 0.34 110.045 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 47' ' ' GLU . . . . . 0.58 ' O ' ' HG3' ' S' ' 4' ' ' GLU . 56.4 mt-10 -39.84 -23.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.21 -0.905 . . . . 2.44 112.4 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -87.36 -60.15 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.305 -0.558 . . . . 1.35 111.62 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 49' ' ' ILE . . . . . 0.528 HD13 ' N ' ' S' ' 50' ' ' LYS . 2.2 pp -57.57 -19.97 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 CA-C-O 120.95 0.405 . . . . 1.02 111.347 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 50' ' ' LYS . . . . . 0.768 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.1 OUTLIER -78.54 -60.65 2.29 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 120.102 -0.639 . . . . 2.09 111.722 -179.318 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 51' ' ' ASP . . . . . 0.768 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 8.1 t70 -86.67 -37.23 18.2 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.0 0.741 . . . . 1.06 113.0 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 52' ' ' LYS . . . . . 0.652 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 23.5 ttpt -69.62 -48.58 59.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.017 0.437 . . . . 2.67 110.366 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 53' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 1.2 mm? -80.64 -6.3 58.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.875 -0.602 . . . . 1.48 110.142 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 54' ' ' SER . . . . . 0.497 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 48.3 t -45.14 -50.15 11.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.987 -1.006 . . . . 1.22 111.434 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 125.01 -17.94 7.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.958 -0.639 . . . . 0.52 112.215 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -151.14 51.84 0.51 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.044 -0.598 . . . . 1.13 112.314 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 57' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' S' ' 51' ' ' ASP . 92.6 p -65.92 116.76 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.687 0.28 . . . . 1.56 110.929 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 79.7 p -171.42 14.19 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.337 -0.392 . . . . 1.95 111.422 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 59' ' ' SER . . . . . 0.445 ' HB3' ' HB2' ' S' ' 3' ' ' GLN . 67.3 m -74.58 -97.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.607 -0.27 . . . . 1.59 110.799 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . 0.665 ' H ' ' H ' ' S' ' 3' ' ' GLN . 32.4 tpt180 -74.05 74.36 1.71 Allowed 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.916 -0.401 . . . . 2.9 109.916 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.25 -7.02 47.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.372 -0.376 . . . . 1.74 111.243 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 59.7 m -86.54 -1.83 57.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 2.19 111.016 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -55.95 115.37 2.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 2.62 111.097 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -99.26 23.29 9.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 6.37 110.812 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 65' ' ' THR . . . . . . . . . . . . . 68.1 p -124.15 -64.35 1.14 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.136 -0.483 . . . . 2.28 111.196 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . 0.628 ' HB3' ' HB2' ' S' ' 1' ' ' MET . 5.8 mp -80.83 -48.83 11.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 2.19 110.88 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.15 -0.929 . . . . 3.55 110.826 179.902 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' S' S ' 3' ' ' GLN . . . . . 0.525 ' HG3' ' HD3' ' S' ' 6' ' ' ARG . 35.6 tt0 . . . . . 0 C--O 1.239 0.513 0 N-CA-C 113.104 0.779 . . . . 1.8 113.104 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 4' ' ' GLU . . . . . 0.649 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.3 OUTLIER -70.93 -17.69 62.68 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 118.862 -1.135 . . . . 1.3700000000000001 111.928 -177.11 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 5' ' ' THR . . . . . 0.454 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 73.0 m -63.5 -63.88 1.06 Allowed 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 119.229 -0.989 . . . . 1.04 108.94 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 6' ' ' ARG . . . . . 0.533 ' O ' ' HB2' ' S' ' 10' ' ' LYS . 12.2 ptm180 -46.86 -63.67 0.97 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.443 0.534 . . . . 1.95 112.443 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -49.98 64.49 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 114.625 1.343 . . . . 1.3 114.625 -177.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 8' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 67.2 mm-40 -83.51 -58.13 2.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.723 0.638 . . . . 1.3400000000000001 112.723 -176.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 9' ' ' MET . . . . . 0.454 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 0.2 OUTLIER -47.0 -51.62 16.73 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.399 -0.52 . . . . 1.3400000000000001 111.459 -178.855 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 10' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 2.7 mtmt -66.08 -44.84 83.28 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.484 0.55 . . . . 3.1899999999999999 112.484 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 11' ' ' ASN . . . . . 0.43 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 50.2 t30 -78.86 -61.91 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.289 0.477 . . . . 1.27 112.289 -178.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 12' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.93 -53.38 7.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.20000000000000001 110.694 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.21 -54.92 37.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.114 -0.698 . . . . 0.17999999999999999 109.114 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 14' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -40.72 -57.35 1.93 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.67 -0.695 . . . . 0.17000000000000001 112.256 178.092 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.57 -19.37 65.89 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 113.072 0.767 . . . . 1.28 113.072 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 16' ' ' ALA . . . . . 0.551 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -86.28 -32.42 21.09 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.622 0.725 . . . . 0.14000000000000001 109.14 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 17' ' ' LYS . . . . . 0.684 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 70.8 mmtt -78.82 -33.32 46.21 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 114.589 -1.187 . . . . 1.3500000000000001 110.156 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 18' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 30.3 m-20 -78.06 -28.1 48.82 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.256 -0.578 . . . . 2.1400000000000001 110.031 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -87.35 -66.22 0.93 Allowed 'General case' 0 C--O 1.248 0.995 0 C-N-CA 119.332 -0.947 . . . . 2.0 111.422 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 20' ' ' VAL . . . . . 0.536 ' O ' HG13 ' S' ' 24' ' ' ILE . 3.0 t -84.39 -30.44 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 CA-C-N 114.967 -1.015 . . . . 0.19 112.008 -177.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 21' ' ' HIS . . . . . 0.684 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 2.2 t-160 -83.02 -31.49 27.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 118.907 -1.117 . . . . 1.1699999999999999 109.665 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 22' ' ' ASP . . . . . 0.479 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 19.7 t70 -56.48 -60.25 3.8 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 118.136 -1.425 . . . . 0.26000000000000001 107.813 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -54.86 -39.75 68.95 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 119.848 -0.741 . . . . 0.73999999999999999 112.952 176.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 24' ' ' ILE . . . . . 0.896 HG21 ' HA ' ' S' ' 33' ' ' ASN . 67.7 mt -62.48 -66.65 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 113.025 0.75 . . . . 0.12 113.025 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 25' ' ' GLN . . . . . 0.592 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 34.1 mt-30 -36.05 -56.03 0.75 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.956 0.884 . . . . 1.1899999999999999 109.488 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -52.56 -64.52 0.79 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.125 -1.398 . . . . 2.3900000000000001 111.205 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 27' ' ' LEU . . . . . 0.63 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 10.1 mt -93.23 -60.4 1.8 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 116.507 2.04 . . . . 0.60999999999999999 116.507 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.765 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.82 -7.94 59.62 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 117.224 2.305 . . . . 1.3100000000000001 117.224 -172.677 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 29' ' ' ASP . . . . . 0.592 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 17.1 t70 -34.43 -21.55 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.788 1.773 . . . . 2.1699999999999999 115.788 -173.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 30' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' S' ' 28' ' ' LYS . 18.0 t70 -87.99 -73.78 0.47 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.793 1.179 . . . . 2.1400000000000001 111.818 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 31' ' ' VAL . . . . . 0.687 HG13 ' H ' ' S' ' 32' ' ' GLY . 5.8 p -88.06 -58.42 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 113.615 0.969 . . . . 1.3200000000000001 113.615 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.765 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -51.92 -15.96 2.66 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-N 114.98 -1.009 . . . . 0.19 112.769 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 33' ' ' ASN . . . . . 0.896 ' HA ' HG21 ' S' ' 24' ' ' ILE . 57.9 t30 -50.63 -5.14 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.261 0.838 . . . . 2.0499999999999998 113.261 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 34' ' ' LYS . . . . . 0.574 ' O ' HG23 ' S' ' 38' ' ' VAL . 4.4 tmtp? -85.73 -40.64 15.88 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.133 -0.627 . . . . 1.04 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 35' ' ' ALA . . . . . 0.583 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -39.69 -36.81 0.45 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.541 -0.754 . . . . 0.23999999999999999 111.899 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 36' ' ' ALA . . . . . 0.439 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -70.04 -65.43 0.72 Allowed 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.177 -0.675 . . . . 0.58999999999999997 109.177 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -43.95 -21.71 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.092 -0.503 . . . . 2.2400000000000002 112.227 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 38' ' ' VAL . . . . . 0.574 HG23 ' O ' ' S' ' 34' ' ' LYS . 97.0 t -73.21 -51.38 26.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.861 0.362 . . . . 0.45000000000000001 110.355 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 39' ' ' ARG . . . . . 0.551 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 4.2 tmt_? -48.94 -40.12 29.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.93 -0.577 . . . . 1.24 110.696 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -75.71 -22.02 57.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.70999999999999996 111.528 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.38 -57.09 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.754 0.312 . . . . 0.28000000000000003 111.174 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 42' ' ' VAL . . . . . 0.406 HG23 ' N ' ' S' ' 43' ' ' SER . 3.6 m -61.72 -47.11 94.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.148 0.499 . . . . 0.35999999999999999 111.38 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 43' ' ' SER . . . . . 0.406 ' N ' HG23 ' S' ' 42' ' ' VAL . 39.4 t -52.37 -52.17 54.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.402 -0.817 . . . . 1.24 109.926 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -49.68 -41.04 42.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.341 -0.845 . . . . 1.3100000000000001 111.849 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 86.5 m -56.77 -39.68 74.49 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.17 0.509 . . . . 0.81000000000000005 110.916 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 46' ' ' VAL . . . . . . . . . . . . . 90.6 t -74.68 -63.33 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.609 -0.723 . . . . 0.34000000000000002 109.545 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 47' ' ' GLU . . . . . 0.649 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 0.9 OUTLIER -45.25 -18.95 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.108 -0.951 . . . . 2.4399999999999999 112.386 178.78 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 63.4 m -82.34 -59.84 2.41 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.132 -0.627 . . . . 1.0 110.067 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 49' ' ' ILE . . . . . 0.56 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.6 pp -63.91 -18.77 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.55 -0.75 . . . . 0.34000000000000002 111.434 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 50' ' ' LYS . . . . . 0.714 ' HG3' ' N ' ' S' ' 51' ' ' ASP . 13.1 ptmt -75.5 -62.08 1.69 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.608 0.595 . . . . 1.5900000000000001 112.608 -178.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 51' ' ' ASP . . . . . 0.714 ' N ' ' HG3' ' S' ' 50' ' ' LYS . 0.3 OUTLIER -88.41 -38.88 14.71 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 115.077 1.51 . . . . 1.0600000000000001 115.077 -176.778 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -76.17 -40.76 51.73 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.249 -0.58 . . . . 2.23 110.463 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 53' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.3 mm? -83.15 -8.2 59.53 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 109.167 -0.679 . . . . 0.66000000000000003 109.167 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 54' ' ' SER . . . . . 0.492 ' HB3' ' HA ' ' S' ' 51' ' ' ASP . 15.7 p -43.72 -37.88 2.88 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.524 -1.216 . . . . 0.85999999999999999 111.662 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.852 -0.689 . . . . 0.52000000000000002 112.516 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' S' S ' 3' ' ' GLN . . . . . 0.444 ' HG2' ' OD1' ' S' ' 51' ' ' ASP . 29.4 pt20 . . . . . 0 CA--C 1.514 -0.442 0 N-CA-C 112.389 0.514 . . . . 1.8 112.389 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 4' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.8 OUTLIER -61.19 -25.59 67.14 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 118.986 -1.086 . . . . 1.3700000000000001 111.954 -176.451 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 5' ' ' THR . . . . . 0.54 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 99.4 m -59.36 -63.02 1.45 Allowed 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.298 -0.961 . . . . 1.04 109.33 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 6' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' S' ' 10' ' ' LYS . 47.6 mtp180 -42.88 -66.47 0.37 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.879 -0.6 . . . . 1.95 112.573 179.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.08 -49.65 42.27 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 115.0 1.481 . . . . 1.3 115.0 -177.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 8' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 75.2 mm-40 -82.7 -60.23 2.25 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.377 0.51 . . . . 1.3400000000000001 112.377 -176.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 9' ' ' MET . . . . . 0.54 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 13.3 tpt -48.08 -48.11 33.66 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.492 -0.483 . . . . 1.3400000000000001 111.573 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 10' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 60.6 mtpt -67.84 -41.05 83.55 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.317 0.488 . . . . 3.1899999999999999 112.317 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 11' ' ' ASN . . . . . 0.436 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 19.6 t-20 -83.39 -61.95 1.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.216 0.45 . . . . 1.27 112.216 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 12' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.45 -52.8 7.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.854 0.359 . . . . 0.20000000000000001 110.634 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.12 -55.16 34.24 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.107 -0.701 . . . . 0.17999999999999999 109.107 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 14' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -40.9 -54.38 2.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.574 -0.739 . . . . 0.17000000000000001 112.521 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -68.48 -19.41 64.54 Favored 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 113.463 0.912 . . . . 1.28 113.463 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 16' ' ' ALA . . . . . 0.465 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -85.59 -31.86 22.4 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-O 121.644 0.735 . . . . 0.14000000000000001 109.105 -177.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 17' ' ' LYS . . . . . 0.715 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 31.3 mmtp -78.91 -32.41 45.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.498 -1.228 . . . . 1.3500000000000001 110.17 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 18' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 17.5 t70 -78.27 -29.47 48.0 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.066 -0.515 . . . . 2.1400000000000001 110.327 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -87.51 -65.33 1.03 Allowed 'General case' 0 C--O 1.248 1.007 0 C-N-CA 119.449 -0.9 . . . . 2.0 111.575 -177.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 20' ' ' VAL . . . . . 0.53 ' O ' HG13 ' S' ' 24' ' ' ILE . 2.1 t -83.97 -30.62 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 CA-C-N 115.107 -0.951 . . . . 0.19 112.152 -177.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 21' ' ' HIS . . . . . 0.715 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.3 t-80 -82.51 -31.95 28.96 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 118.855 -1.138 . . . . 1.1699999999999999 109.63 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 22' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 23.6 t70 -55.79 -61.04 2.63 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 118.24 -1.384 . . . . 0.26000000000000001 107.766 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 23' ' ' LYS . . . . . 0.445 ' HE3' ' HE2' ' S' ' 28' ' ' LYS . 17.3 ptmt -55.33 -41.98 73.19 Favored 'General case' 0 C--N 1.344 0.332 0 N-CA-C 113.196 0.813 . . . . 0.73999999999999999 113.196 176.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 24' ' ' ILE . . . . . 0.852 HG21 ' HA ' ' S' ' 33' ' ' ASN . 67.9 mt -60.81 -66.21 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 113.038 0.755 . . . . 0.12 113.038 -177.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 25' ' ' GLN . . . . . 0.597 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 21.2 mt-30 -36.02 -55.24 0.76 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.858 0.837 . . . . 1.1899999999999999 109.423 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -53.55 -64.82 0.7 Allowed 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.043 -1.435 . . . . 2.3900000000000001 111.169 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 27' ' ' LEU . . . . . 0.548 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 11.7 mt -93.35 -60.38 1.8 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.628 2.085 . . . . 0.60999999999999999 116.628 -178.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.71 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 1.9 mptp? -81.95 -8.22 59.66 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 117.093 2.257 . . . . 1.3100000000000001 117.093 -172.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 29' ' ' ASP . . . . . 0.597 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 17.9 t70 -34.25 -22.78 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 115.587 1.699 . . . . 2.1699999999999999 115.587 -173.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 30' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' S' ' 28' ' ' LYS . 10.4 m-20 -88.3 -73.58 0.49 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.592 1.087 . . . . 2.1400000000000001 111.78 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 31' ' ' VAL . . . . . 0.594 HG23 ' H ' ' S' ' 32' ' ' GLY . 2.4 m -89.29 -58.41 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 113.862 1.06 . . . . 1.3200000000000001 113.862 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.71 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -52.47 -15.96 3.26 Favored Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.556 -0.747 . . . . 0.19 112.749 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 33' ' ' ASN . . . . . 0.852 ' HA ' HG21 ' S' ' 24' ' ' ILE . 5.0 t30 -52.95 -3.63 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.302 0.853 . . . . 2.0499999999999998 113.302 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 34' ' ' LYS . . . . . 0.447 ' O ' HG23 ' S' ' 38' ' ' VAL . 5.4 tmtp? -84.84 -30.76 24.24 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.474 -0.49 . . . . 1.04 110.97 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 35' ' ' ALA . . . . . 0.536 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -53.92 -34.08 58.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.23999999999999999 112.113 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 36' ' ' ALA . . . . . 0.558 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -80.62 -21.83 41.15 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.525 0.678 . . . . 0.58999999999999997 109.995 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -83.46 -28.96 28.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.051 -0.977 . . . . 2.2400000000000002 109.788 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 38' ' ' VAL . . . . . 0.447 HG23 ' O ' ' S' ' 34' ' ' LYS . 97.6 t -75.23 -43.19 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.546 -0.752 . . . . 0.45000000000000001 109.51 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 39' ' ' ARG . . . . . 0.465 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 2.6 tmt_? -52.47 -48.14 66.06 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.789 -0.641 . . . . 1.24 109.998 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -71.4 -21.73 61.96 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.417 -0.356 . . . . 0.70999999999999996 111.093 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 41' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' S' ' 38' ' ' VAL . . . -64.76 -57.3 9.32 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.376 -0.374 . . . . 0.28000000000000003 111.449 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 m -56.67 -45.61 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.035 0.445 . . . . 0.35999999999999999 111.165 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 58.8 m -53.44 -54.22 40.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.468 -0.787 . . . . 1.24 110.03 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 57.9 m -49.96 -39.33 40.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.361 -0.836 . . . . 1.3100000000000001 111.812 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 51.4 m -58.32 -38.77 77.78 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.183 0.516 . . . . 0.81000000000000005 110.629 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 46' ' ' VAL . . . . . 0.492 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 59.7 t -74.03 -63.75 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.46 -0.791 . . . . 0.34000000000000002 109.326 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 47' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 6.2 mt-10 -40.56 -20.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.91 -1.041 . . . . 2.4399999999999999 112.71 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 48' ' ' SER . . . . . 0.405 ' N ' ' O ' ' S' ' 46' ' ' VAL . 70.1 m -86.15 -59.97 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.745 -0.382 . . . . 1.0 111.476 -177.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 49' ' ' ILE . . . . . 0.624 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.4 pp -63.49 -19.44 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.22 -0.445 . . . . 0.34000000000000002 111.884 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 50' ' ' LYS . . . . . 0.767 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -80.36 -60.86 2.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.769 0.655 . . . . 1.5900000000000001 112.769 -178.572 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 51' ' ' ASP . . . . . 0.767 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.5 OUTLIER -85.82 -37.93 18.69 Favored 'General case' 0 N--CA 1.461 0.093 0 N-CA-C 114.61 1.337 . . . . 1.0600000000000001 114.61 -177.761 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -79.25 -36.1 40.42 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.835 -0.746 . . . . 2.23 110.524 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 53' ' ' LEU . . . . . 0.586 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 0.3 OUTLIER -85.55 -5.94 59.23 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.72 -0.844 . . . . 0.66000000000000003 108.72 177.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 54' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 41.5 t -44.13 -39.96 4.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.659 -1.155 . . . . 0.85999999999999999 111.217 179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 C-N-CA 120.863 -0.684 . . . . 0.52000000000000002 112.322 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' S' S ' 3' ' ' GLN . . . . . 0.439 ' HB2' ' NH2' ' S' ' 6' ' ' ARG . 27.9 pt20 . . . . . 0 C--O 1.24 0.576 0 N-CA-C 111.749 0.278 . . . . 1.8 111.749 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 4' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.9 OUTLIER -62.64 -25.09 67.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 119.01 -1.076 . . . . 1.3700000000000001 111.55 -176.649 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 5' ' ' THR . . . . . 0.503 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 1.1 p -58.77 -63.69 1.2 Allowed 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 119.753 -0.779 . . . . 1.04 109.68 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 6' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' S' ' 10' ' ' LYS . 35.7 mtm180 -43.29 -66.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.004 0.742 . . . . 1.95 113.004 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -73.27 -45.89 53.15 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 114.929 1.455 . . . . 1.3 114.929 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 8' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 15.0 mm-40 -82.29 -60.81 2.08 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.489 -0.484 . . . . 1.3400000000000001 112.161 -177.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 9' ' ' MET . . . . . 0.503 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 12.1 tpt -48.11 -48.28 33.95 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.036 0.384 . . . . 1.3400000000000001 112.036 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 10' ' ' LYS . . . . . 0.556 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 0.6 OUTLIER -69.0 -40.72 78.55 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.462 0.542 . . . . 3.1899999999999999 112.462 -179.427 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 11' ' ' ASN . . . . . 0.479 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 21.6 t-20 -82.96 -61.67 1.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.203 0.446 . . . . 1.27 112.203 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 12' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.93 -52.7 8.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.20000000000000001 110.592 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.71 -54.09 42.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.231 -0.655 . . . . 0.17999999999999999 109.231 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 14' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -40.94 -53.64 2.9 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.468 -0.787 . . . . 0.17000000000000001 112.321 178.085 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -68.78 -19.33 64.3 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 113.278 0.844 . . . . 1.28 113.278 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.07 -33.24 21.02 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.572 0.701 . . . . 0.14000000000000001 109.284 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 17' ' ' LYS . . . . . 0.678 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 41.9 mmtm -78.81 -33.07 46.45 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.515 -1.22 . . . . 1.3500000000000001 110.128 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 18' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 17.2 t70 -77.52 -29.57 52.48 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.163 0.506 . . . . 2.1400000000000001 109.98 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -87.44 -65.54 1.0 Allowed 'General case' 0 C--O 1.247 0.973 0 C-N-CA 119.545 -0.862 . . . . 2.0 111.444 -177.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 20' ' ' VAL . . . . . 0.47 ' O ' HG13 ' S' ' 24' ' ' ILE . 1.9 t -84.6 -30.49 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 115.246 -0.888 . . . . 0.19 112.383 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 21' ' ' HIS . . . . . 0.678 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 5.6 t60 -82.66 -30.43 29.31 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 119.025 -1.07 . . . . 1.1699999999999999 109.684 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 22' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 20.5 t70 -58.29 -60.57 3.56 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 118.066 -1.454 . . . . 0.26000000000000001 107.555 178.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 23' ' ' LYS . . . . . 0.412 ' HE3' ' HE3' ' S' ' 28' ' ' LYS . 19.0 ptmt -55.41 -44.06 75.86 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 113.5 0.926 . . . . 0.73999999999999999 113.5 176.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 24' ' ' ILE . . . . . 0.811 HG21 ' HA ' ' S' ' 33' ' ' ASN . 67.7 mt -59.33 -66.19 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 N-CA-C 112.751 0.648 . . . . 0.12 112.751 -177.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 25' ' ' GLN . . . . . 0.592 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 2.5 mt-30 -35.81 -56.08 0.71 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.928 0.871 . . . . 1.1899999999999999 109.573 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -52.41 -64.95 0.65 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.095 -1.411 . . . . 2.3900000000000001 111.276 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 27' ' ' LEU . . . . . 0.543 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 16.8 mt -93.43 -60.05 1.87 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 116.476 2.028 . . . . 0.60999999999999999 116.476 -178.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.732 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.25 -7.97 59.63 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 117.103 2.26 . . . . 1.3100000000000001 117.103 -172.635 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 29' ' ' ASP . . . . . 0.592 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 19.9 t70 -34.05 -22.13 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.365 1.617 . . . . 2.1699999999999999 115.365 -173.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 30' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' S' ' 28' ' ' LYS . 11.3 m-20 -88.42 -73.47 0.49 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.565 1.075 . . . . 2.1400000000000001 111.853 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 31' ' ' VAL . . . . . 0.589 HG23 ' H ' ' S' ' 32' ' ' GLY . 2.3 m -89.43 -58.24 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 113.929 1.085 . . . . 1.3200000000000001 113.929 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.732 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -51.47 -15.58 1.98 Allowed Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.593 -0.731 . . . . 0.19 112.787 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 33' ' ' ASN . . . . . 0.811 ' HA ' HG21 ' S' ' 24' ' ' ILE . 59.3 t30 -52.76 -4.28 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.144 0.794 . . . . 2.0499999999999998 113.144 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 34' ' ' LYS . . . . . 0.647 ' O ' HG23 ' S' ' 38' ' ' VAL . 19.2 tptm -86.14 -20.58 28.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.102 -0.373 . . . . 1.04 111.222 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 35' ' ' ALA . . . . . 0.588 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -64.73 -35.49 81.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.474 -0.33 . . . . 0.23999999999999999 111.468 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 36' ' ' ALA . . . . . 0.504 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -81.53 -22.25 38.03 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.596 0.712 . . . . 0.58999999999999997 109.712 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 37' ' ' GLU . . . . . 0.562 ' HB2' ' HD2' ' S' ' 34' ' ' LYS . 11.3 mm-40 -83.0 -32.23 27.06 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.87 -1.059 . . . . 2.2400000000000002 109.75 -178.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 38' ' ' VAL . . . . . 0.647 HG23 ' O ' ' S' ' 34' ' ' LYS . 64.5 t -72.02 -42.16 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 108.857 -0.794 . . . . 0.45000000000000001 108.857 178.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -50.19 -47.75 54.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.276 -0.874 . . . . 1.24 109.898 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.42 -22.12 62.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.316 -0.402 . . . . 0.70999999999999996 111.473 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.66 -57.37 7.31 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.758 0.281 . . . . 0.28000000000000003 111.758 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -57.49 -46.69 85.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.13 0.491 . . . . 0.35999999999999999 111.001 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 50.9 m -55.68 -53.65 54.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.401 -0.818 . . . . 1.24 109.909 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 8.5 p -48.38 -40.33 25.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.505 -0.77 . . . . 1.3100000000000001 111.437 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 45' ' ' THR . . . . . 0.458 ' O ' HG13 ' S' ' 49' ' ' ILE . 88.1 m -59.41 -37.6 78.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.958 0.409 . . . . 0.81000000000000005 110.929 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 46' ' ' VAL . . . . . . . . . . . . . 90.3 t -77.4 -64.41 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.742 -0.663 . . . . 0.34000000000000002 110.217 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 47' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 0.6 OUTLIER -44.91 -18.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.451 -0.795 . . . . 2.4399999999999999 112.425 178.754 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 45.3 t -86.53 -60.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.669 -0.412 . . . . 1.0 111.667 -177.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 49' ' ' ILE . . . . . 0.7 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -62.45 -19.56 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.502 . . . . 0.34000000000000002 111.736 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 50' ' ' LYS . . . . . 0.7 ' N ' HD12 ' S' ' 49' ' ' ILE . 0.0 OUTLIER -80.84 -59.41 2.68 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.806 0.669 . . . . 1.5900000000000001 112.806 -178.348 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 51' ' ' ASP . . . . . 0.409 ' OD2' ' HB3' ' S' ' 4' ' ' GLU . 0.3 OUTLIER -85.94 -39.4 16.96 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 114.585 1.328 . . . . 1.0600000000000001 114.585 -178.242 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -77.16 -44.24 30.98 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.168 -0.613 . . . . 2.23 110.567 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 53' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.1 mm? -79.67 -5.31 54.88 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.474 0.654 . . . . 0.66000000000000003 109.272 178.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 54' ' ' SER . . . . . 0.49 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 37.2 t -42.96 -39.69 2.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.458 -1.247 . . . . 0.85999999999999999 111.6 -179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.52000000000000002 112.771 179.712 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' S' S ' 3' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.241 0.617 0 CA-C-O 120.856 0.36 . . . . 1.8 111.351 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' S' S ' 4' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.2 OUTLIER -74.4 -17.97 60.73 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 118.892 -1.123 . . . . 1.3700000000000001 111.827 -176.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 5' ' ' THR . . . . . 0.539 ' O ' ' HB3' ' S' ' 9' ' ' MET . 87.9 m -60.27 -63.76 1.19 Allowed 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 119.19 -1.004 . . . . 1.04 108.835 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 6' ' ' ARG . . . . . 0.508 ' O ' ' HB2' ' S' ' 10' ' ' LYS . 14.3 ptm180 -48.48 -63.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.0 -0.545 . . . . 1.95 112.451 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 7' ' ' ASP . . . . . 0.445 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.2 OUTLIER -68.62 -50.26 52.81 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 114.705 1.372 . . . . 1.3 114.705 -177.04 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 8' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 76.4 mm-40 -82.96 -62.37 1.62 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.673 0.62 . . . . 1.3400000000000001 112.673 -176.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 9' ' ' MET . . . . . 0.539 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.2 tpt -46.25 -47.57 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.688 -0.405 . . . . 1.3400000000000001 111.88 -178.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 10' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 0.2 OUTLIER -68.51 -43.68 76.29 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 112.395 0.517 . . . . 3.1899999999999999 112.395 -179.745 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 11' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 5.5 t30 -80.71 -61.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.29 0.478 . . . . 1.27 112.29 -178.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 12' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.88 -53.28 7.73 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.852 0.358 . . . . 0.20000000000000001 110.527 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.03 47.11 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.095 -0.705 . . . . 0.17999999999999999 109.095 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 14' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -41.41 -54.08 3.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.63 -0.714 . . . . 0.17000000000000001 112.439 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -68.68 -19.16 64.37 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 113.009 0.744 . . . . 1.28 113.009 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 16' ' ' ALA . . . . . 0.477 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -86.32 -32.98 20.74 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.752 0.787 . . . . 0.14000000000000001 109.071 -178.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 17' ' ' LYS . . . . . 0.701 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 30.8 mmtp -78.27 -33.1 49.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.338 -1.301 . . . . 1.3500000000000001 109.94 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 18' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 18.6 t70 -78.63 -29.05 45.66 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.818 -0.628 . . . . 2.1400000000000001 109.978 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -87.59 -65.51 1.01 Allowed 'General case' 0 C--O 1.247 0.961 0 C-N-CA 119.573 -0.851 . . . . 2.0 111.206 -177.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 20' ' ' VAL . . . . . 0.516 ' O ' HG13 ' S' ' 24' ' ' ILE . 2.1 t -84.11 -31.44 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.727 0 CA-C-N 115.06 -0.973 . . . . 0.19 112.141 -177.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 21' ' ' HIS . . . . . 0.701 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.1 t-160 -82.61 -31.91 28.65 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 118.957 -1.097 . . . . 1.1699999999999999 109.899 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 22' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 15.3 t70 -55.85 -60.62 3.2 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 118.006 -1.478 . . . . 0.26000000000000001 107.459 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -54.73 -43.29 72.5 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 113.269 0.84 . . . . 0.73999999999999999 113.269 176.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 24' ' ' ILE . . . . . 0.853 HG21 ' HA ' ' S' ' 33' ' ' ASN . 73.0 mt -60.95 -66.54 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 113.224 0.824 . . . . 0.12 113.224 -177.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 25' ' ' GLN . . . . . 0.577 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 15.4 mt-30 -35.96 -54.9 0.76 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.916 0.865 . . . . 1.1899999999999999 109.567 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -54.2 -64.97 0.66 Allowed 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.072 -1.422 . . . . 2.3900000000000001 111.201 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 27' ' ' LEU . . . . . 0.611 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 12.9 mt -93.24 -60.4 1.8 Allowed 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 116.593 2.072 . . . . 0.60999999999999999 116.593 -178.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.744 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.23 -7.86 59.63 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 117.089 2.255 . . . . 1.3100000000000001 117.089 -172.622 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 29' ' ' ASP . . . . . 0.577 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 20.4 t70 -34.28 -21.34 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.42 1.637 . . . . 2.1699999999999999 115.42 -173.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 30' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' S' ' 28' ' ' LYS . 4.8 m-20 -88.43 -73.32 0.5 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.568 1.076 . . . . 2.1400000000000001 111.674 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 31' ' ' VAL . . . . . 0.579 HG23 ' H ' ' S' ' 32' ' ' GLY . 2.1 m -89.92 -58.28 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 113.998 1.11 . . . . 1.3200000000000001 113.998 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.744 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -52.65 -15.88 3.4 Favored Glycine 0 CA--C 1.522 0.516 0 CA-C-N 115.54 -0.754 . . . . 0.19 112.91 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 33' ' ' ASN . . . . . 0.853 ' HA ' HG21 ' S' ' 24' ' ' ILE . 64.8 t30 -53.14 -3.59 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.328 0.862 . . . . 2.0499999999999998 113.328 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 34' ' ' LYS . . . . . 0.533 ' O ' HG23 ' S' ' 38' ' ' VAL . 5.2 tmtp? -84.24 -32.49 24.45 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.27 -0.572 . . . . 1.04 110.965 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 35' ' ' ALA . . . . . 0.499 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -53.09 -32.56 47.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.36 0.504 . . . . 0.23999999999999999 112.36 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 36' ' ' ALA . . . . . 0.523 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -80.89 -22.43 39.8 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.396 0.617 . . . . 0.58999999999999997 110.317 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 37' ' ' GLU . . . . . 0.425 ' HB2' ' HD3' ' S' ' 34' ' ' LYS . 37.4 mt-10 -84.09 -27.01 28.54 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.207 -0.906 . . . . 2.2400000000000002 109.476 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 38' ' ' VAL . . . . . 0.533 HG23 ' O ' ' S' ' 34' ' ' LYS . 77.9 t -75.53 -44.75 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.477 -0.783 . . . . 0.45000000000000001 109.405 178.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 39' ' ' ARG . . . . . 0.477 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 2.5 tmt_? -51.33 -49.12 61.98 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.622 -0.717 . . . . 1.24 110.254 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -70.88 -21.8 62.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.373 -0.376 . . . . 0.70999999999999996 111.231 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.93 -57.43 6.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.436 -0.347 . . . . 0.28000000000000003 111.863 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -56.58 -46.22 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.175 0.512 . . . . 0.35999999999999999 111.038 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 39.7 t -52.86 -51.14 62.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.369 -0.832 . . . . 1.24 109.883 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 6.8 p -49.14 -37.94 23.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.448 -0.796 . . . . 1.3100000000000001 111.436 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 71.1 m -59.79 -40.01 86.87 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.99 0.424 . . . . 0.81000000000000005 110.762 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 46' ' ' VAL . . . . . . . . . . . . . 61.9 t -75.14 -61.69 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.34000000000000002 109.61 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 47' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 33.9 mt-10 -40.8 -21.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.884 -1.053 . . . . 2.4399999999999999 112.451 178.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 68.9 m -87.02 -59.82 2.15 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.785 -0.366 . . . . 1.0 111.548 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 49' ' ' ILE . . . . . 0.591 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.4 pp -58.91 -19.05 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.965 0.412 . . . . 0.34000000000000002 111.482 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 50' ' ' LYS . . . . . 0.753 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -81.23 -60.78 2.16 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 120.236 -0.585 . . . . 1.5900000000000001 112.13 -179.174 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 51' ' ' ASP . . . . . 0.753 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.2 OUTLIER -86.62 -40.51 15.09 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 114.066 1.135 . . . . 1.0600000000000001 114.066 -178.829 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.63 -41.64 62.51 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.651 -0.42 . . . . 2.23 110.553 -178.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 53' ' ' LEU . . . . . 0.539 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.1 mm? -83.42 -7.12 59.61 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 121.378 0.608 . . . . 0.66000000000000003 109.469 178.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 54' ' ' SER . . . . . 0.521 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 46.8 t -43.91 -37.69 3.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.641 -1.163 . . . . 0.85999999999999999 111.688 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.806 -0.711 . . . . 0.52000000000000002 112.372 -179.775 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' S' S ' 3' ' ' GLN . . . . . 0.454 ' HG2' ' OD1' ' S' ' 51' ' ' ASP . 25.8 pt20 . . . . . 0 C--O 1.238 0.478 0 CA-C-O 120.499 0.19 . . . . 1.8 111.4 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 4' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.4 OUTLIER -72.15 -19.34 61.78 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 118.995 -1.082 . . . . 1.3700000000000001 111.57 -177.09 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 5' ' ' THR . . . . . 0.497 ' O ' ' HB3' ' S' ' 9' ' ' MET . 87.7 m -61.73 -63.87 1.12 Allowed 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 119.079 -1.049 . . . . 1.04 109.177 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 6' ' ' ARG . . . . . 0.442 ' HG3' ' H ' ' S' ' 7' ' ' ASP . 12.3 ptm180 -47.52 -63.87 0.94 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.508 0.558 . . . . 1.95 112.508 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 7' ' ' ASP . . . . . 0.442 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.1 OUTLIER -69.08 -49.43 57.32 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 114.635 1.346 . . . . 1.3 114.635 -177.373 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 8' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 10.9 mm100 -83.45 -61.53 1.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.375 0.509 . . . . 1.3400000000000001 112.375 -177.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 9' ' ' MET . . . . . 0.497 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.7 tpt -48.8 -48.61 41.2 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.436 -0.505 . . . . 1.3400000000000001 111.769 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -67.13 -42.92 83.64 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.261 0.467 . . . . 3.1899999999999999 112.261 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 11' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -83.29 -62.09 1.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.332 0.493 . . . . 1.27 112.332 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 12' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.81 -52.37 8.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.715 0.293 . . . . 0.20000000000000001 110.592 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 13' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' S' ' 9' ' ' MET . . . -57.28 -55.31 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.156 -0.683 . . . . 0.17999999999999999 109.156 178.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.74 -55.02 3.14 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.788 -0.642 . . . . 0.17000000000000001 112.078 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -67.22 -18.81 65.39 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 112.456 0.539 . . . . 1.28 112.456 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 16' ' ' ALA . . . . . 0.503 ' HB2' HH11 ' S' ' 39' ' ' ARG . . . -86.08 -29.11 23.64 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.559 -0.904 . . . . 0.14000000000000001 108.559 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 17' ' ' LYS . . . . . 0.674 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 67.4 mmtt -78.83 -32.87 46.33 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 113.999 -1.455 . . . . 1.3500000000000001 109.754 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 18' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 29.0 m-20 -79.49 -27.97 41.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.961 -0.563 . . . . 2.1400000000000001 109.962 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -87.51 -65.75 0.98 Allowed 'General case' 0 C--O 1.25 1.129 0 C-N-CA 119.428 -0.909 . . . . 2.0 111.219 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 20' ' ' VAL . . . . . 0.56 ' O ' HG13 ' S' ' 24' ' ' ILE . 3.6 t -83.78 -31.89 8.44 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.69 0 CA-C-N 115.078 -0.965 . . . . 0.19 111.983 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 21' ' ' HIS . . . . . 0.674 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.4 t-80 -83.17 -31.16 27.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 119.021 -1.071 . . . . 1.1699999999999999 110.119 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 22' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 16.2 t70 -56.27 -60.36 3.62 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 118.086 -1.446 . . . . 0.26000000000000001 107.587 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 23' ' ' LYS . . . . . 0.546 ' HD3' ' HA ' ' S' ' 20' ' ' VAL . 15.0 ptmt -53.27 -40.68 64.86 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 119.732 -0.787 . . . . 0.73999999999999999 112.822 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 24' ' ' ILE . . . . . 0.85 HG21 ' HA ' ' S' ' 33' ' ' ASN . 60.2 mt -62.07 -66.95 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 113.572 0.953 . . . . 0.12 113.572 -177.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 25' ' ' GLN . . . . . 0.658 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 32.7 mt-30 -36.22 -53.9 0.81 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.84 0.829 . . . . 1.1899999999999999 109.407 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -54.68 -64.44 0.83 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.215 -1.357 . . . . 2.3900000000000001 111.096 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 27' ' ' LEU . . . . . 0.611 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 15.3 mt -92.96 -59.91 1.93 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.496 2.036 . . . . 0.60999999999999999 116.496 -178.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.636 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 8.2 mptt -82.26 -8.72 59.64 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 117.049 2.24 . . . . 1.3100000000000001 117.049 -172.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 29' ' ' ASP . . . . . 0.658 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 4.6 p-10 -34.86 -24.01 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 115.844 1.794 . . . . 2.1699999999999999 115.844 -173.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 30' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' S' ' 28' ' ' LYS . 19.4 t70 -88.79 -74.23 0.47 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.654 1.116 . . . . 2.1400000000000001 112.207 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 31' ' ' VAL . . . . . 0.703 HG13 ' H ' ' S' ' 32' ' ' GLY . 2.1 p -87.88 -59.14 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.347 -0.842 . . . . 1.3200000000000001 113.115 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.703 ' H ' HG13 ' S' ' 31' ' ' VAL . . . -54.61 -15.64 6.32 Favored Glycine 0 C--N 1.312 -0.779 0 CA-C-N 114.433 -1.258 . . . . 0.19 112.395 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 33' ' ' ASN . . . . . 0.85 ' HA ' HG21 ' S' ' 24' ' ' ILE . 18.6 p-10 -53.46 -4.0 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.918 1.081 . . . . 2.0499999999999998 113.918 -179.061 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 34' ' ' LYS . . . . . 0.604 ' O ' HG23 ' S' ' 38' ' ' VAL . 4.6 tmtp? -85.39 -33.53 21.96 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.156 -0.618 . . . . 1.04 109.507 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 35' ' ' ALA . . . . . 0.848 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -39.17 -42.41 0.96 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.104 -0.953 . . . . 0.23999999999999999 112.368 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 36' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -66.8 -64.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.655 -0.498 . . . . 0.58999999999999997 109.655 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -45.25 -21.21 0.07 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.138 -0.483 . . . . 2.2400000000000002 112.158 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 38' ' ' VAL . . . . . 0.604 HG23 ' O ' ' S' ' 34' ' ' LYS . 97.4 t -76.2 -54.87 12.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.777 0.322 . . . . 0.45000000000000001 110.362 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 39' ' ' ARG . . . . . 0.503 HH11 ' HB2' ' S' ' 16' ' ' ALA . 4.9 tmt_? -53.03 -30.83 37.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.144 0.497 . . . . 1.24 110.279 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -78.6 -23.68 45.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.925 -0.58 . . . . 0.70999999999999996 110.791 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.48 -55.63 28.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.476 . . . . 0.28000000000000003 110.845 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -59.13 -47.47 90.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 116.064 -0.516 . . . . 0.35999999999999999 110.845 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 36.0 t -52.56 -52.13 56.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.592 -0.731 . . . . 1.24 109.775 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 41.1 t -48.97 -39.93 28.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.151 -0.931 . . . . 1.3100000000000001 111.776 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 62.0 m -57.66 -38.35 74.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.086 0.47 . . . . 0.81000000000000005 110.771 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 46' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.93 -63.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.665 -0.698 . . . . 0.34000000000000002 109.807 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 47' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 7.9 mt-10 -40.96 -20.66 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.2 -0.909 . . . . 2.4399999999999999 112.785 178.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 34.0 t -86.92 -60.13 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.697 -0.401 . . . . 1.0 111.677 -177.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 49' ' ' ILE . . . . . 0.639 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -58.79 -19.11 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.34000000000000002 111.517 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 50' ' ' LYS . . . . . 0.761 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -80.76 -61.17 2.05 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.267 -0.573 . . . . 1.5900000000000001 112.446 -178.876 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 51' ' ' ASP . . . . . 0.761 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.4 OUTLIER -87.4 -40.69 14.18 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 114.386 1.254 . . . . 1.0600000000000001 114.386 -178.451 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -73.59 -42.65 61.27 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.143 -0.623 . . . . 2.23 110.421 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 53' ' ' LEU . . . . . 0.541 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 3.1 mm? -80.24 -8.06 59.28 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.373 0.606 . . . . 0.66000000000000003 109.428 178.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 54' ' ' SER . . . . . 0.502 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 43.8 t -44.51 -47.6 10.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.585 -1.188 . . . . 0.85999999999999999 111.456 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.853 -0.689 . . . . 0.52000000000000002 112.309 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' S' S ' 3' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--O 1.239 0.546 0 N-CA-C 111.788 0.292 . . . . 1.8 111.788 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' S' S ' 4' ' ' GLU . . . . . 0.56 ' O ' ' HB2' ' S' ' 8' ' ' GLN . 0.2 OUTLIER -73.42 -17.25 61.28 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 118.829 -1.148 . . . . 1.3700000000000001 111.62 -177.215 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 5' ' ' THR . . . . . 0.554 ' O ' ' HB3' ' S' ' 9' ' ' MET . 48.8 m -62.54 -64.12 1.02 Allowed 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 119.168 -1.013 . . . . 1.04 108.921 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 6' ' ' ARG . . . . . 0.449 ' HG3' ' H ' ' S' ' 7' ' ' ASP . 13.2 ptm180 -47.29 -63.89 0.93 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 112.277 0.473 . . . . 1.95 112.277 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 7' ' ' ASP . . . . . 0.449 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.1 OUTLIER -68.73 -50.48 50.38 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 114.935 1.458 . . . . 1.3 114.935 -177.355 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 8' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 2.7 mp0 -83.35 -59.93 2.3 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.558 0.577 . . . . 1.3400000000000001 112.558 -177.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 9' ' ' MET . . . . . 0.554 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.2 tpt -47.25 -47.15 24.87 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.589 -0.444 . . . . 1.3400000000000001 111.442 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 10' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' S' ' 6' ' ' ARG . 28.0 ttpp -69.93 -46.47 65.27 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.208 0.447 . . . . 3.1899999999999999 112.208 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 11' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 4.6 t-20 -77.34 -61.8 1.87 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.003 0.372 . . . . 1.27 112.003 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 12' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -45.27 -51.21 11.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.677 0.275 . . . . 0.20000000000000001 110.43 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.32 -55.11 37.49 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.049 -0.722 . . . . 0.17999999999999999 109.049 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 14' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -40.54 -57.0 1.95 Allowed 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.755 -0.657 . . . . 0.17000000000000001 112.157 178.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -67.83 -19.25 65.04 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 113.068 0.766 . . . . 1.28 113.068 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.3 -32.87 20.83 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.786 0.803 . . . . 0.14000000000000001 109.264 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 17' ' ' LYS . . . . . 0.682 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 31.1 mmtp -78.67 -34.02 46.58 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.231 -1.35 . . . . 1.3500000000000001 110.163 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 18' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 15.0 t70 -79.33 -27.61 42.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.871 -0.604 . . . . 2.1400000000000001 110.54 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -87.25 -67.21 0.84 Allowed 'General case' 0 C--O 1.249 1.037 0 C-N-CA 118.966 -1.094 . . . . 2.0 111.34 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 20' ' ' VAL . . . . . 0.533 ' O ' HG13 ' S' ' 24' ' ' ILE . 3.9 t -84.25 -31.78 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 CA-C-N 114.922 -1.035 . . . . 0.19 111.613 -178.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 21' ' ' HIS . . . . . 0.682 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 5.9 t60 -83.68 -30.11 27.06 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 118.956 -1.098 . . . . 1.1699999999999999 110.338 -178.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 22' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 14.0 t70 -57.29 -59.48 5.05 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 118.137 -1.425 . . . . 0.26000000000000001 107.692 178.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -38.06 75.07 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 119.607 -0.837 . . . . 0.73999999999999999 112.486 177.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 24' ' ' ILE . . . . . 0.876 HG21 ' HA ' ' S' ' 33' ' ' ASN . 39.2 mt -59.33 -65.57 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 112.499 0.555 . . . . 0.12 112.499 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 25' ' ' GLN . . . . . 0.686 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 10.6 mt-30 -36.04 -53.54 0.78 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.848 0.832 . . . . 1.1899999999999999 109.252 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 26' ' ' GLU . . . . . 0.511 ' HB2' HD12 ' S' ' 27' ' ' LEU . 11.9 mm-40 -53.34 -64.95 0.66 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.199 -1.364 . . . . 2.3900000000000001 111.234 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 27' ' ' LEU . . . . . 0.678 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 4.8 mp -93.58 -59.47 2.0 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 116.091 1.886 . . . . 0.60999999999999999 116.091 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.678 ' HD2' ' HB2' ' S' ' 27' ' ' LEU . 8.4 mptt -81.38 -9.06 59.81 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 117.104 2.261 . . . . 1.3100000000000001 117.104 -172.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 29' ' ' ASP . . . . . 0.686 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 6.2 p-10 -34.71 -23.04 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.454 1.65 . . . . 2.1699999999999999 115.454 -173.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 30' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' S' ' 28' ' ' LYS . 30.7 t70 -88.91 -73.66 0.49 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.36 0.982 . . . . 2.1400000000000001 111.901 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 31' ' ' VAL . . . . . 0.59 HG23 ' H ' ' S' ' 32' ' ' GLY . 1.8 m -90.61 -58.51 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 113.382 0.882 . . . . 1.3200000000000001 113.382 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.648 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -53.23 -15.78 4.1 Favored Glycine 0 CA--C 1.521 0.466 0 CA-C-N 115.559 -0.746 . . . . 0.19 112.239 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 33' ' ' ASN . . . . . 0.876 ' HA ' HG21 ' S' ' 24' ' ' ILE . 27.7 p-10 -53.19 -3.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.431 0.9 . . . . 2.0499999999999998 113.431 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 34' ' ' LYS . . . . . 0.63 ' O ' HG23 ' S' ' 38' ' ' VAL . 22.2 tptm -85.19 -37.87 19.64 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.656 -0.418 . . . . 1.04 110.089 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 35' ' ' ALA . . . . . 0.705 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -40.38 -37.39 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.503 -0.772 . . . . 0.23999999999999999 112.297 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 36' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -70.25 -65.72 0.69 Allowed 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.612 -0.435 . . . . 0.58999999999999997 109.963 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -45.73 -20.81 0.09 Allowed 'General case' 0 C--O 1.232 0.17 0 N-CA-C 112.091 0.404 . . . . 2.2400000000000002 112.091 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 38' ' ' VAL . . . . . 0.63 HG23 ' O ' ' S' ' 34' ' ' LYS . 83.0 t -72.29 -53.46 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 0.45000000000000001 110.505 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 39' ' ' ARG . . . . . 0.432 ' HD3' ' O ' ' S' ' 39' ' ' ARG . 0.0 OUTLIER -50.69 -38.0 44.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.968 -0.56 . . . . 1.24 110.815 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -76.29 -21.46 56.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.396 -0.366 . . . . 0.70999999999999996 111.182 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.67 -56.86 16.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.28000000000000003 110.655 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 3.0 m -61.3 -46.07 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.931 -0.577 . . . . 0.35999999999999999 111.211 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 84.5 p -52.74 -51.66 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.401 -0.818 . . . . 1.24 109.66 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 44.9 t -48.83 -39.65 26.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.448 -0.797 . . . . 1.3100000000000001 111.427 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 35.0 m -57.18 -37.6 72.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.179 0.514 . . . . 0.81000000000000005 110.208 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 46' ' ' VAL . . . . . 0.415 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 42.6 t -76.11 -63.29 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.408 -0.814 . . . . 0.34000000000000002 109.609 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 47' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 1.0 OUTLIER -41.14 -20.96 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.383 -0.826 . . . . 2.4399999999999999 112.626 178.273 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 51.2 m -86.58 -60.04 2.1 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.656 -0.418 . . . . 1.0 111.485 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 49' ' ' ILE . . . . . 0.631 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -58.96 -18.51 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.133 -0.485 . . . . 0.34000000000000002 111.557 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 50' ' ' LYS . . . . . 0.775 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 11.8 ptpt -81.85 -61.06 2.03 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.6 0.593 . . . . 1.5900000000000001 112.6 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 51' ' ' ASP . . . . . 0.775 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.3 OUTLIER -86.86 -42.29 13.35 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 114.478 1.288 . . . . 1.0600000000000001 114.478 -177.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -73.97 -38.38 64.19 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.341 -0.543 . . . . 2.23 110.265 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 53' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.5 mm? -85.43 -7.78 58.74 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.311 0.577 . . . . 0.66000000000000003 109.658 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 54' ' ' SER . . . . . 0.522 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 41.1 t -43.51 -39.76 3.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.659 -1.155 . . . . 0.85999999999999999 111.592 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.798 -0.715 . . . . 0.52000000000000002 112.533 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' S' S ' 3' ' ' GLN . . . . . 0.44 ' HG2' ' OD1' ' S' ' 51' ' ' ASP . 12.8 pt20 . . . . . 0 C--O 1.24 0.56 0 N-CA-C 113.243 0.831 . . . . 1.8 113.243 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 4' ' ' GLU . . . . . 0.67 ' HG3' ' O ' ' S' ' 47' ' ' GLU . 0.0 OUTLIER -61.41 -21.62 64.27 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 118.837 -1.145 . . . . 1.3700000000000001 111.209 -177.16 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 5' ' ' THR . . . . . 0.502 ' O ' ' HB3' ' S' ' 9' ' ' MET . 90.9 m -61.15 -63.04 1.42 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 119.558 -0.857 . . . . 1.04 108.967 179.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 6' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -41.83 -65.85 0.41 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.703 -0.68 . . . . 1.95 112.522 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.78 -47.08 27.29 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.868 1.433 . . . . 1.3 114.868 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 8' ' ' GLN . . . . . 0.525 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 23.7 mm-40 -78.29 -61.31 2.04 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.252 -0.579 . . . . 1.3400000000000001 111.566 -177.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 9' ' ' MET . . . . . 0.502 ' HB3' ' O ' ' S' ' 5' ' ' THR . 0.7 OUTLIER -46.88 -50.34 18.82 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.501 -0.48 . . . . 1.3400000000000001 111.088 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 10' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -62.94 -44.24 96.62 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.272 0.471 . . . . 3.1899999999999999 112.272 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 11' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -83.27 -61.94 1.72 Allowed 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.537 0.569 . . . . 1.27 112.537 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.5 -52.97 7.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.754 0.311 . . . . 0.20000000000000001 110.682 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.97 -55.83 29.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.08 -0.711 . . . . 0.17999999999999999 109.08 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.77 -57.57 1.89 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.602 -0.726 . . . . 0.17000000000000001 112.258 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.81 -19.4 65.87 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.135 0.791 . . . . 1.28 113.135 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 16' ' ' ALA . . . . . 0.43 ' HB2' HH11 ' S' ' 39' ' ' ARG . . . -86.07 -34.86 20.58 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.663 0.744 . . . . 0.14000000000000001 109.392 -177.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 17' ' ' LYS . . . . . 0.669 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 71.4 mmtt -78.9 -32.55 45.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.489 -1.232 . . . . 1.3500000000000001 110.354 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 18' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 2.5 m-20 -79.35 -28.36 42.0 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.491 -0.484 . . . . 2.1400000000000001 110.343 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -87.45 -65.79 0.98 Allowed 'General case' 0 C--O 1.249 1.068 0 C-N-CA 119.277 -0.969 . . . . 2.0 111.175 -177.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 20' ' ' VAL . . . . . 0.524 ' O ' HG13 ' S' ' 24' ' ' ILE . 2.1 t -83.96 -32.07 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 CA-C-N 114.907 -1.042 . . . . 0.19 111.841 -177.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 21' ' ' HIS . . . . . 0.669 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 2.1 t-160 -83.0 -31.32 27.53 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 118.738 -1.185 . . . . 1.1699999999999999 109.968 -178.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 22' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 28.9 t70 -56.7 -60.16 3.95 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 118.13 -1.428 . . . . 0.26000000000000001 108.027 178.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 23' ' ' LYS . . . . . 0.423 ' HD3' ' HD3' ' S' ' 28' ' ' LYS . 0.0 OUTLIER -58.79 -38.09 77.76 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 119.52 -0.872 . . . . 0.73999999999999999 113.103 177.2 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 24' ' ' ILE . . . . . 0.856 HG21 ' HA ' ' S' ' 33' ' ' ASN . 54.7 mt -61.37 -66.0 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 C-N-CA 120.395 -0.522 . . . . 0.12 112.397 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 25' ' ' GLN . . . . . 0.64 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 15.2 mt-30 -35.96 -55.26 0.75 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.886 0.85 . . . . 1.1899999999999999 109.488 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -53.47 -64.69 0.74 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.197 -1.365 . . . . 2.3900000000000001 111.238 178.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 27' ' ' LEU . . . . . 0.613 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 16.1 mt -93.16 -59.97 1.91 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 116.289 1.959 . . . . 0.60999999999999999 116.289 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.707 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 1.9 mptp? -81.39 -8.3 59.71 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 116.895 2.184 . . . . 1.3100000000000001 116.895 -172.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 29' ' ' ASP . . . . . 0.64 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 6.6 p-10 -34.35 -22.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.449 1.648 . . . . 2.1699999999999999 115.449 -173.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 30' ' ' ASP . . . . . 0.542 ' N ' ' O ' ' S' ' 28' ' ' LYS . 14.6 t70 -88.47 -74.1 0.47 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 119.604 1.093 . . . . 2.1400000000000001 111.879 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 31' ' ' VAL . . . . . 0.687 HG13 ' H ' ' S' ' 32' ' ' GLY . 6.5 p -89.32 -58.59 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.441 0.904 . . . . 1.3200000000000001 113.441 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.707 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -51.35 -16.13 2.11 Favored Glycine 0 CA--C 1.522 0.519 0 CA-C-N 115.055 -0.975 . . . . 0.19 112.465 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 33' ' ' ASN . . . . . 0.856 ' HA ' HG21 ' S' ' 24' ' ' ILE . 19.9 t-20 -54.4 -4.59 0.06 Allowed 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.958 0.725 . . . . 2.0499999999999998 112.958 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 34' ' ' LYS . . . . . 0.636 ' O ' HG23 ' S' ' 38' ' ' VAL . 22.3 tptm -86.26 -21.32 27.45 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.606 -0.437 . . . . 1.04 111.07 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 35' ' ' ALA . . . . . 0.619 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -62.62 -35.19 78.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.18 -0.463 . . . . 0.23999999999999999 111.603 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 36' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -80.99 -21.18 40.47 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.365 0.602 . . . . 0.58999999999999997 110.06 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 37' ' ' GLU . . . . . 0.538 ' HB2' ' HD2' ' S' ' 34' ' ' LYS . 15.8 mm-40 -84.3 -30.0 25.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.148 -0.933 . . . . 2.2400000000000002 109.544 -178.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 38' ' ' VAL . . . . . 0.636 HG23 ' O ' ' S' ' 34' ' ' LYS . 80.3 t -76.71 -46.03 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 115.44 -0.8 . . . . 0.45000000000000001 109.836 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 39' ' ' ARG . . . . . 0.43 HH11 ' HB2' ' S' ' 16' ' ' ALA . 4.5 tmt_? -56.08 -36.87 68.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.035 -0.529 . . . . 1.24 110.515 179.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -75.24 -24.03 57.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.983 0.421 . . . . 0.70999999999999996 110.1 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 41' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' S' ' 38' ' ' VAL . . . -63.06 -50.58 70.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.893 -0.594 . . . . 0.28000000000000003 111.46 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -62.85 -46.24 96.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 121.145 0.497 . . . . 0.35999999999999999 111.046 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 71.0 m -52.67 -52.17 57.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.72 -0.673 . . . . 1.24 109.64 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 66.4 m -48.73 -43.22 37.25 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.213 -0.903 . . . . 1.3100000000000001 112.293 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 24.7 p -56.85 -35.08 68.45 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.965 0.412 . . . . 0.81000000000000005 110.764 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 46' ' ' VAL . . . . . 0.454 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 60.4 t -75.09 -63.33 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.849 -0.614 . . . . 0.34000000000000002 109.471 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 47' ' ' GLU . . . . . 0.67 ' O ' ' HG3' ' S' ' 4' ' ' GLU . 31.2 mt-10 -40.36 -22.52 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.177 -0.92 . . . . 2.4399999999999999 112.311 178.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 71.2 m -85.79 -59.61 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.581 -0.448 . . . . 1.0 111.748 -177.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 49' ' ' ILE . . . . . 0.663 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -62.11 -19.07 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.894 0.378 . . . . 0.34000000000000002 111.662 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 50' ' ' LYS . . . . . 0.77 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -79.79 -61.19 2.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.669 0.618 . . . . 1.5900000000000001 112.669 -178.458 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 51' ' ' ASP . . . . . 0.77 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.3 OUTLIER -86.9 -37.71 17.4 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 115.128 1.529 . . . . 1.0600000000000001 115.128 -178.061 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -79.13 -36.55 40.39 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.003 -0.679 . . . . 2.23 110.849 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 53' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.1 mm? -86.1 -7.58 58.49 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.709 -0.849 . . . . 0.66000000000000003 108.709 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 54' ' ' SER . . . . . 0.511 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 33.9 t -43.07 -43.74 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.194 -1.366 . . . . 0.85999999999999999 111.57 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.52000000000000002 112.535 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' S' S ' 3' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 . . . . . 0 C--O 1.241 0.618 0 CA-C-O 120.851 0.358 . . . . 1.8 111.22 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' S' S ' 4' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.1 OUTLIER -75.43 -16.17 60.37 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 118.853 -1.139 . . . . 1.3700000000000001 111.668 -177.248 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 5' ' ' THR . . . . . 0.526 ' O ' ' HB3' ' S' ' 9' ' ' MET . 58.5 m -61.49 -63.58 1.23 Allowed 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 118.939 -1.104 . . . . 1.04 108.583 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 6' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' S' ' 10' ' ' LYS . 5.4 ptm180 -46.68 -64.88 0.66 Allowed 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.743 -0.662 . . . . 1.95 112.013 178.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 7' ' ' ASP . . . . . 0.415 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.1 OUTLIER -68.99 -51.24 41.44 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 114.987 1.477 . . . . 1.3 114.987 -177.468 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 8' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' S' ' 12' ' ' ALA . 73.3 mm-40 -81.95 -61.62 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.528 0.566 . . . . 1.3400000000000001 112.528 -176.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 9' ' ' MET . . . . . 0.526 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.4 tpt -46.27 -49.52 17.26 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.615 -0.434 . . . . 1.3400000000000001 111.526 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 10' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 32.6 mmmt -65.89 -44.15 86.16 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.319 0.488 . . . . 3.1899999999999999 112.319 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 11' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 51.3 t30 -83.47 -61.97 1.7 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.665 0.617 . . . . 1.27 112.665 -178.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 12' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.74 -53.8 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.722 0.296 . . . . 0.20000000000000001 110.718 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 13' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' S' ' 9' ' ' MET . . . -55.09 -54.48 42.53 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.157 -0.683 . . . . 0.17999999999999999 109.157 178.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 14' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -41.24 -54.93 2.83 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.671 -0.695 . . . . 0.17000000000000001 112.475 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.62 -19.27 64.43 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 113.131 0.789 . . . . 1.28 113.131 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 16' ' ' ALA . . . . . 0.408 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -86.2 -30.91 22.05 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.738 0.78 . . . . 0.14000000000000001 108.923 -178.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 17' ' ' LYS . . . . . 0.766 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 69.0 mmtt -78.47 -33.62 48.21 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 114.242 -1.344 . . . . 1.3500000000000001 109.97 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 18' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 17.6 t70 -79.35 -27.48 41.99 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.874 -0.603 . . . . 2.1400000000000001 110.229 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -87.4 -66.85 0.87 Allowed 'General case' 0 C--O 1.248 1.021 0 C-N-CA 119.426 -0.91 . . . . 2.0 111.564 -176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 20' ' ' VAL . . . . . 0.546 ' O ' HG13 ' S' ' 24' ' ' ILE . 2.6 t -84.68 -29.55 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 115.146 -0.934 . . . . 0.19 111.803 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 21' ' ' HIS . . . . . 0.766 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 0.4 OUTLIER -83.2 -31.66 26.96 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 118.906 -1.118 . . . . 1.1699999999999999 109.625 -178.736 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 22' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 15.9 t70 -55.62 -60.52 3.32 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 118.217 -1.393 . . . . 0.26000000000000001 107.472 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -54.53 -41.58 69.86 Favored 'General case' 0 C--N 1.344 0.334 0 N-CA-C 113.036 0.754 . . . . 0.73999999999999999 113.036 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 24' ' ' ILE . . . . . 0.838 HG21 ' HA ' ' S' ' 33' ' ' ASN . 69.0 mt -61.8 -66.29 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 113.146 0.795 . . . . 0.12 113.146 -177.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 25' ' ' GLN . . . . . 0.568 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 32.7 mt-30 -35.77 -56.44 0.69 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.889 0.852 . . . . 1.1899999999999999 109.537 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -52.85 -64.79 0.7 Allowed 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.1 -1.409 . . . . 2.3900000000000001 111.213 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 27' ' ' LEU . . . . . 0.585 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 15.4 mt -93.39 -60.35 1.8 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 116.606 2.076 . . . . 0.60999999999999999 116.606 -178.055 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.667 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.17 -8.48 59.65 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 117.121 2.267 . . . . 1.3100000000000001 117.121 -172.395 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 29' ' ' ASP . . . . . 0.568 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 18.2 t70 -34.65 -21.37 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.177 1.547 . . . . 2.1699999999999999 115.177 -173.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 30' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' S' ' 28' ' ' LYS . 8.8 m-20 -88.88 -73.38 0.5 Allowed 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.4 1.0 . . . . 2.1400000000000001 111.771 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 31' ' ' VAL . . . . . 0.689 HG13 ' H ' ' S' ' 32' ' ' GLY . 5.9 p -91.44 -59.23 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 113.946 1.091 . . . . 1.3200000000000001 113.946 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.689 ' H ' HG13 ' S' ' 31' ' ' VAL . . . -50.86 -15.91 1.56 Allowed Glycine 0 CA--C 1.523 0.58 0 CA-C-N 115.309 -0.86 . . . . 0.19 112.594 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 33' ' ' ASN . . . . . 0.838 ' HA ' HG21 ' S' ' 24' ' ' ILE . 3.3 t30 -53.67 -3.53 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.255 0.835 . . . . 2.0499999999999998 113.255 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 34' ' ' LYS . . . . . 0.55 ' O ' HG23 ' S' ' 38' ' ' VAL . 4.8 tmtp? -85.49 -21.42 28.67 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.599 -0.44 . . . . 1.04 111.24 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 35' ' ' ALA . . . . . 0.528 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -63.65 -33.56 75.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.275 -0.42 . . . . 0.23999999999999999 111.942 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 36' ' ' ALA . . . . . 0.52 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -80.71 -21.54 41.13 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.477 0.656 . . . . 0.58999999999999997 109.929 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 37' ' ' GLU . . . . . 0.453 ' HB2' ' HD3' ' S' ' 34' ' ' LYS . 45.3 mt-10 -83.76 -29.42 27.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.128 -0.942 . . . . 2.2400000000000002 109.686 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 38' ' ' VAL . . . . . 0.55 HG23 ' O ' ' S' ' 34' ' ' LYS . 69.5 t -74.46 -42.22 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 109.0 -0.741 . . . . 0.45000000000000001 109.0 178.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 39' ' ' ARG . . . . . 0.408 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 2.8 tmt_? -50.29 -49.0 54.76 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.673 -0.694 . . . . 1.24 109.867 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.86 -22.04 62.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.416 . . . . 0.70999999999999996 111.368 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 41' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' S' ' 38' ' ' VAL . . . -63.74 -57.34 10.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.579 -0.282 . . . . 0.28000000000000003 111.495 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 m -57.89 -46.43 87.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.181 0.515 . . . . 0.35999999999999999 111.079 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 49.8 m -52.06 -51.34 58.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.401 -0.818 . . . . 1.24 109.741 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -47.71 -39.19 16.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.324 -0.853 . . . . 1.3100000000000001 111.541 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 62.9 m -59.62 -40.17 86.66 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.925 0.393 . . . . 0.81000000000000005 110.781 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 46' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 63.3 t -75.15 -61.31 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.838 -0.619 . . . . 0.34000000000000002 109.545 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 47' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 16.4 mt-10 -39.94 -22.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.856 -1.066 . . . . 2.4399999999999999 112.289 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 48' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' S' ' 52' ' ' LYS . 43.2 m -87.01 -60.24 2.03 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.663 -0.415 . . . . 1.0 110.942 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 49' ' ' ILE . . . . . 0.611 ' HA ' ' HB2' ' S' ' 53' ' ' LEU . 2.3 pp -58.65 -19.96 15.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.77 0.319 . . . . 0.34000000000000002 111.629 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 50' ' ' LYS . . . . . 0.785 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -80.6 -61.37 1.99 Allowed 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.333 -0.547 . . . . 1.5900000000000001 111.822 -179.197 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 51' ' ' ASP . . . . . 0.785 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.2 OUTLIER -86.38 -39.12 16.72 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 113.279 0.844 . . . . 1.0600000000000001 113.279 -179.073 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 52' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' S' ' 48' ' ' SER . 5.6 tmmm? -71.42 -45.1 63.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.698 0.285 . . . . 2.23 110.456 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 53' ' ' LEU . . . . . 0.611 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 0.3 OUTLIER -82.62 -5.86 59.04 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.269 0.557 . . . . 0.66000000000000003 109.578 178.758 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 54' ' ' SER . . . . . 0.499 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 35.8 t -45.11 -32.1 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.815 -1.084 . . . . 0.85999999999999999 111.798 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.962 -0.637 . . . . 0.52000000000000002 111.658 -179.329 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' S' S ' 3' ' ' GLN . . . . . 0.564 ' HG3' ' HD3' ' S' ' 6' ' ' ARG . 49.4 tt0 . . . . . 0 C--O 1.24 0.594 0 N-CA-C 112.545 0.572 . . . . 1.8 112.545 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 4' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 1.3 pp20? -67.46 -25.85 66.09 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 119.129 -1.028 . . . . 1.3700000000000001 112.252 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 5' ' ' THR . . . . . 0.657 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 0.0 OUTLIER -59.7 -63.69 1.21 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 119.171 -1.012 . . . . 1.04 110.261 -179.737 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 6' ' ' ARG . . . . . 0.564 ' HD3' ' HG3' ' S' ' 3' ' ' GLN . 12.2 ptm180 -45.27 -65.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.932 0.715 . . . . 1.95 112.932 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 7' ' ' ASP . . . . . 0.492 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.9 OUTLIER -71.52 -46.37 59.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.822 1.416 . . . . 1.3 114.822 -177.051 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 8' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 80.2 mm-40 -83.39 -60.41 2.14 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.331 0.493 . . . . 1.3400000000000001 112.331 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 9' ' ' MET . . . . . 0.657 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 0.0 OUTLIER -48.44 -49.82 33.7 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.776 -0.37 . . . . 1.3400000000000001 111.59 -178.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 10' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 3.4 mmmp? -67.49 -42.37 83.01 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.429 0.529 . . . . 3.1899999999999999 112.429 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 11' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 63.9 t30 -83.23 -61.56 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.385 0.513 . . . . 1.27 112.385 -178.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.81 -53.22 7.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.849 0.357 . . . . 0.20000000000000001 110.59 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.87 -53.68 49.13 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.112 -0.699 . . . . 0.17999999999999999 109.112 178.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 14' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -41.07 -55.61 2.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.627 -0.715 . . . . 0.17000000000000001 112.214 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -66.45 -19.01 65.68 Favored 'General case' 0 N--CA 1.461 0.08 0 N-CA-C 113.074 0.768 . . . . 1.28 113.074 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 16' ' ' ALA . . . . . 0.59 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -85.76 -31.8 22.19 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.636 0.732 . . . . 0.14000000000000001 109.025 -177.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 17' ' ' LYS . . . . . 0.659 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 41.8 mmtm -78.57 -33.47 47.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.512 -1.222 . . . . 1.3500000000000001 110.057 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 18' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 12.1 m-20 -77.75 -29.23 50.98 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.073 -0.512 . . . . 2.1400000000000001 110.32 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -87.23 -66.2 0.93 Allowed 'General case' 0 C--O 1.248 1.012 0 C-N-CA 119.373 -0.931 . . . . 2.0 111.411 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 20' ' ' VAL . . . . . 0.564 ' O ' HG13 ' S' ' 24' ' ' ILE . 3.5 t -84.14 -31.03 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-N 115.154 -0.93 . . . . 0.19 111.94 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 21' ' ' HIS . . . . . 0.659 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 2.0 t-80 -83.03 -30.91 27.71 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 118.854 -1.138 . . . . 1.1699999999999999 110.049 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 22' ' ' ASP . . . . . 0.474 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 14.7 t70 -57.41 -60.59 3.41 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 118.164 -1.415 . . . . 0.26000000000000001 107.722 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -53.3 -39.91 64.37 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 119.759 -0.776 . . . . 0.73999999999999999 112.733 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 24' ' ' ILE . . . . . 0.929 HG21 ' HA ' ' S' ' 33' ' ' ASN . 62.2 mt -62.73 -66.59 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 113.357 0.873 . . . . 0.12 113.357 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 25' ' ' GLN . . . . . 0.618 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 39.3 mt-30 -35.86 -55.18 0.74 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.957 0.884 . . . . 1.1899999999999999 109.362 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -53.3 -64.63 0.76 Allowed 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 113.971 -1.468 . . . . 2.3900000000000001 111.205 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 27' ' ' LEU . . . . . 0.551 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 12.3 mt -93.53 -60.13 1.85 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.579 2.066 . . . . 0.60999999999999999 116.579 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.729 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.86 -7.96 59.62 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 117.089 2.255 . . . . 1.3100000000000001 117.089 -172.504 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 29' ' ' ASP . . . . . 0.618 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 20.4 t70 -34.64 -22.3 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.598 1.703 . . . . 2.1699999999999999 115.598 -173.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 30' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' S' ' 28' ' ' LYS . 17.1 t70 -88.59 -74.02 0.48 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.417 1.008 . . . . 2.1400000000000001 112.058 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 31' ' ' VAL . . . . . 0.699 HG13 ' H ' ' S' ' 32' ' ' GLY . 5.1 p -88.17 -58.75 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 113.462 0.912 . . . . 1.3200000000000001 113.462 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.729 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -54.47 -15.99 6.48 Favored Glycine 0 C--N 1.314 -0.678 0 CA-C-N 114.948 -1.024 . . . . 0.19 112.356 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 33' ' ' ASN . . . . . 0.929 ' HA ' HG21 ' S' ' 24' ' ' ILE . 28.4 p-10 -53.66 -4.49 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.89 1.07 . . . . 2.0499999999999998 113.89 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 34' ' ' LYS . . . . . 0.54 ' O ' HG23 ' S' ' 38' ' ' VAL . 1.4 tmtp? -85.11 -39.77 17.54 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.238 -0.585 . . . . 1.04 109.552 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 35' ' ' ALA . . . . . 0.609 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -39.68 -36.6 0.43 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.435 -0.802 . . . . 0.23999999999999999 112.319 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 36' ' ' ALA . . . . . 0.5 ' HA ' ' HB ' ' S' ' 20' ' ' VAL . . . -66.93 -64.73 0.79 Allowed 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.992 -0.744 . . . . 0.58999999999999997 108.992 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -45.1 -20.6 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.873 -0.603 . . . . 2.2400000000000002 111.926 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 38' ' ' VAL . . . . . 0.54 HG23 ' O ' ' S' ' 34' ' ' LYS . 65.5 t -71.36 -52.34 27.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 110.046 -0.353 . . . . 0.45000000000000001 110.046 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 39' ' ' ARG . . . . . 0.59 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 4.0 tmt_? -50.2 -33.94 21.07 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.989 -0.551 . . . . 1.24 110.367 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.38 -26.61 55.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.156 -0.474 . . . . 0.70999999999999996 111.29 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.09 -52.9 63.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 0.28000000000000003 111.228 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 3.5 m -64.83 -48.08 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.029 0.442 . . . . 0.35999999999999999 111.492 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -53.55 -54.91 30.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.683 -0.69 . . . . 1.24 110.438 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 61.2 m -51.06 -37.51 45.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.454 -0.794 . . . . 1.3100000000000001 111.535 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 52.5 m -57.7 -37.44 73.49 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.194 0.521 . . . . 0.81000000000000005 110.24 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 46' ' ' VAL . . . . . 0.479 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 60.5 t -76.1 -64.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.303 -0.862 . . . . 0.34000000000000002 109.712 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 47' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 2.6 mp0 -41.25 -20.87 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.271 -0.877 . . . . 2.4399999999999999 112.563 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 46.7 t -86.16 -59.66 2.23 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.841 -0.344 . . . . 1.0 111.455 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 49' ' ' ILE . . . . . 0.646 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -62.93 -18.72 21.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.13 -0.487 . . . . 0.34000000000000002 111.831 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 50' ' ' LYS . . . . . 0.782 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 6.0 ptpt -82.02 -60.34 2.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.983 0.734 . . . . 1.5900000000000001 112.983 -178.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 51' ' ' ASP . . . . . 0.782 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.6 OUTLIER -86.53 -39.59 16.07 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 114.831 1.419 . . . . 1.0600000000000001 114.831 -177.508 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -79.59 -39.44 31.67 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.06 -0.656 . . . . 2.23 110.524 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 53' ' ' LEU . . . . . 0.559 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 2.5 mm? -81.52 -7.57 59.6 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 108.774 -0.824 . . . . 0.66000000000000003 108.774 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 54' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' S' ' 50' ' ' LYS . 26.5 p -43.08 -37.19 1.89 Allowed 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.258 -1.337 . . . . 0.85999999999999999 111.658 -178.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.83 -0.7 . . . . 0.52000000000000002 112.554 179.861 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' S' S ' 3' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 115.98 1.844 . . . . 1.8 115.98 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' S' S ' 4' ' ' GLU . . . . . 0.654 ' HB2' ' HD2' ' S' ' 50' ' ' LYS . 0.4 OUTLIER -60.6 -33.01 72.12 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 118.214 -1.394 . . . . 1.3700000000000001 109.698 -179.474 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 5' ' ' THR . . . . . 0.499 ' O ' ' HB3' ' S' ' 9' ' ' MET . 59.4 m -51.7 -60.7 2.87 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.684 -0.689 . . . . 1.04 109.48 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 6' ' ' ARG . . . . . 0.474 ' O ' ' HB2' ' S' ' 10' ' ' LYS . 51.6 mtp180 -41.07 -65.93 0.38 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.843 0.683 . . . . 1.95 112.843 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -74.2 -47.53 34.9 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.041 1.126 . . . . 1.3 114.041 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 8' ' ' GLN . . . . . 0.447 ' HG3' ' HE3' ' S' ' 50' ' ' LYS . 26.0 mm-40 -80.32 -64.27 1.23 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.184 0.438 . . . . 1.3400000000000001 112.184 -177.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 9' ' ' MET . . . . . 0.499 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.2 tpt -48.16 -45.9 33.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.301 0.482 . . . . 1.3400000000000001 112.301 -178.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 10' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 56.8 mtpt -71.56 -42.94 67.2 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.449 -0.5 . . . . 3.1899999999999999 112.237 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 11' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 57.8 t30 -78.49 -62.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.992 0.367 . . . . 1.27 111.992 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.77 -53.77 9.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.605 0.24 . . . . 0.20000000000000001 110.551 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.22 -52.6 58.4 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.878 -0.786 . . . . 0.17999999999999999 108.878 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 14' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -44.4 -49.33 9.73 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.562 -0.744 . . . . 0.17000000000000001 111.902 177.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 15' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' S' ' 11' ' ' ASN . 17.4 mt-10 -67.95 -20.31 65.05 Favored 'General case' 0 C--N 1.337 0.064 0 N-CA-C 112.514 0.561 . . . . 1.28 112.514 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 16' ' ' ALA . . . . . 0.591 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -86.76 -31.05 21.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.702 0.763 . . . . 0.14000000000000001 109.318 -177.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 17' ' ' LYS . . . . . 0.737 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 71.3 mmtt -78.4 -35.56 46.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.326 -1.307 . . . . 1.3500000000000001 110.427 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 18' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 18.8 t70 -79.35 -29.51 42.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.96 -0.564 . . . . 2.1400000000000001 110.586 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -87.44 -66.65 0.89 Allowed 'General case' 0 C--O 1.249 1.055 0 C-N-CA 119.272 -0.971 . . . . 2.0 111.558 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 20' ' ' VAL . . . . . 0.483 ' O ' HG13 ' S' ' 24' ' ' ILE . 2.5 t -84.07 -30.8 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 114.97 -1.014 . . . . 0.19 112.019 -177.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 21' ' ' HIS . . . . . 0.737 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.2 t-80 -82.97 -31.24 27.7 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 118.873 -1.131 . . . . 1.1699999999999999 109.775 -178.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 22' ' ' ASP . . . . . 0.479 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 15.7 t70 -55.65 -60.34 3.58 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 117.992 -1.483 . . . . 0.26000000000000001 107.687 178.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -40.77 78.88 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 119.477 -0.889 . . . . 0.73999999999999999 113.164 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 24' ' ' ILE . . . . . 0.909 HG21 ' HA ' ' S' ' 33' ' ' ASN . 61.2 mt -59.53 -66.33 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.142 0 N-CA-C 112.738 0.644 . . . . 0.12 112.738 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 25' ' ' GLN . . . . . 0.629 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 31.2 mt-30 -35.57 -54.14 0.69 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.919 0.866 . . . . 1.1899999999999999 109.355 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -54.39 -64.84 0.7 Allowed 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 113.994 -1.457 . . . . 2.3900000000000001 111.061 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 27' ' ' LEU . . . . . 0.623 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 11.3 mt -93.42 -60.1 1.86 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 116.524 2.046 . . . . 0.60999999999999999 116.524 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.743 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 2.4 mptp? -82.4 -8.86 59.62 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 117.538 2.422 . . . . 1.3100000000000001 117.538 -172.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 29' ' ' ASP . . . . . 0.629 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 4.7 p-10 -34.22 -20.63 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.757 1.762 . . . . 2.1699999999999999 115.757 -173.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 30' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' S' ' 28' ' ' LYS . 8.8 m-20 -89.02 -73.47 0.5 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.562 1.074 . . . . 2.1400000000000001 111.917 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 31' ' ' VAL . . . . . 0.562 HG23 ' H ' ' S' ' 32' ' ' GLY . 1.7 m -87.96 -57.43 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 115.021 -0.99 . . . . 1.3200000000000001 113.417 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.743 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -55.65 -14.78 7.6 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-N 115.502 -0.772 . . . . 0.19 112.404 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 33' ' ' ASN . . . . . 0.909 ' HA ' HG21 ' S' ' 24' ' ' ILE . 25.7 p-10 -50.25 -11.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.655 0.983 . . . . 2.0499999999999998 113.655 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 34' ' ' LYS . . . . . 0.561 ' HG3' HG23 ' S' ' 38' ' ' VAL . 7.6 tptm -84.81 -29.48 25.35 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.214 -0.594 . . . . 1.04 110.813 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 35' ' ' ALA . . . . . 0.706 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -49.23 -38.45 26.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.441 -0.345 . . . . 0.23999999999999999 111.682 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 36' ' ' ALA . . . . . 0.605 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -80.13 -22.67 41.83 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.729 0.776 . . . . 0.58999999999999997 109.805 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 37' ' ' GLU . . . . . 0.552 ' HB2' ' HD2' ' S' ' 34' ' ' LYS . 16.8 mm-40 -84.94 -21.49 29.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.869 -1.059 . . . . 2.2400000000000002 109.298 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 38' ' ' VAL . . . . . 0.561 HG23 ' HG3' ' S' ' 34' ' ' LYS . 74.3 t -71.05 -47.46 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 108.244 -1.021 . . . . 0.45000000000000001 108.244 178.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 39' ' ' ARG . . . . . 0.591 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 1.6 tmt_? -60.71 -27.55 67.98 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.079 -1.082 . . . . 1.24 108.079 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.69 -23.59 56.18 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.846 -1.07 . . . . 0.70999999999999996 110.244 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.71 -57.29 3.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.667 -0.697 . . . . 0.28000000000000003 111.533 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 m -51.5 -46.92 36.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.012 -0.54 . . . . 0.35999999999999999 111.636 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 48.3 t -54.45 -57.13 12.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.013 -0.54 . . . . 1.24 110.086 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 44.9 t -47.76 -39.31 17.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.487 -0.779 . . . . 1.3100000000000001 111.547 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 45' ' ' THR . . . . . 0.418 ' O ' HG13 ' S' ' 49' ' ' ILE . 32.3 m -57.2 -37.75 72.65 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.144 0.497 . . . . 0.81000000000000005 110.723 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 46' ' ' VAL . . . . . 0.421 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 97.0 t -77.06 -63.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.555 -0.748 . . . . 0.34000000000000002 110.045 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 47' ' ' GLU . . . . . 0.596 ' O ' ' HG3' ' S' ' 4' ' ' GLU . 56.4 mt-10 -39.84 -23.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.21 -0.905 . . . . 2.4399999999999999 112.4 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -87.36 -60.15 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.305 -0.558 . . . . 1.0 111.62 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 49' ' ' ILE . . . . . 0.608 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.2 pp -57.57 -19.97 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 CA-C-O 120.95 0.405 . . . . 0.34000000000000002 111.347 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 50' ' ' LYS . . . . . 0.745 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.1 OUTLIER -78.54 -60.65 2.29 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 120.102 -0.639 . . . . 1.5900000000000001 111.722 -179.318 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 51' ' ' ASP . . . . . 0.745 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 8.1 t70 -86.67 -37.23 18.2 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.0 0.741 . . . . 1.0600000000000001 113.0 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -69.62 -48.58 59.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.017 0.437 . . . . 2.23 110.366 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 53' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 1.2 mm? -80.64 -6.3 58.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.875 -0.602 . . . . 0.66000000000000003 110.142 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 54' ' ' SER . . . . . 0.497 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 48.3 t -45.14 -50.15 11.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.987 -1.006 . . . . 0.85999999999999999 111.434 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.958 -0.639 . . . . 0.52000000000000002 112.215 -179.638 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' S' S ' 1' ' ' MET . . . . . 0.753 ' HG2' HD22 ' S' ' 66' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.649 0.261 . . . . 1.4199999999999999 110.699 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 2' ' ' ASP . . . . . 0.465 ' HB3' ' OD1' ' S' ' 51' ' ' ASP . 37.9 t70 -105.98 -110.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.939 0.718 . . . . 1.97 112.939 -177.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 3' ' ' GLN . . . . . 0.704 ' HA ' ' HB3' ' S' ' 60' ' ' ARG . 35.6 tt0 -80.33 -14.07 58.67 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 113.104 0.779 . . . . 1.8 113.104 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 4' ' ' GLU . . . . . 0.649 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.3 OUTLIER -70.93 -17.69 62.68 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 118.862 -1.135 . . . . 1.3700000000000001 111.928 -177.11 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 5' ' ' THR . . . . . 0.454 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 73.0 m -63.5 -63.88 1.06 Allowed 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 119.229 -0.989 . . . . 1.04 108.94 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 6' ' ' ARG . . . . . 0.564 ' HD2' ' HB2' ' S' ' 60' ' ' ARG . 12.2 ptm180 -46.86 -63.67 0.97 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.443 0.534 . . . . 1.95 112.443 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -49.98 64.49 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 114.625 1.343 . . . . 1.3 114.625 -177.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 8' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 67.2 mm-40 -83.51 -58.13 2.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.723 0.638 . . . . 1.3400000000000001 112.723 -176.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 9' ' ' MET . . . . . 0.454 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 0.2 OUTLIER -47.0 -51.62 16.73 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.399 -0.52 . . . . 1.3400000000000001 111.459 -178.855 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 10' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 2.7 mtmt -66.08 -44.84 83.28 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.484 0.55 . . . . 3.1899999999999999 112.484 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 11' ' ' ASN . . . . . 0.43 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 50.2 t30 -78.86 -61.91 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.289 0.477 . . . . 1.27 112.289 -178.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 12' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.93 -53.38 7.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.20000000000000001 110.694 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.21 -54.92 37.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.114 -0.698 . . . . 0.17999999999999999 109.114 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 14' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -40.72 -57.35 1.93 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.67 -0.695 . . . . 0.17000000000000001 112.256 178.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.57 -19.37 65.89 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 113.072 0.767 . . . . 1.28 113.072 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 16' ' ' ALA . . . . . 0.551 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -86.28 -32.42 21.09 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.622 0.725 . . . . 0.14000000000000001 109.14 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 17' ' ' LYS . . . . . 0.684 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 70.8 mmtt -78.82 -33.32 46.21 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 114.589 -1.187 . . . . 1.3500000000000001 110.156 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 18' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 30.3 m-20 -78.06 -28.1 48.82 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.256 -0.578 . . . . 2.1400000000000001 110.031 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -87.35 -66.22 0.93 Allowed 'General case' 0 C--O 1.248 0.995 0 C-N-CA 119.332 -0.947 . . . . 2.0 111.422 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 20' ' ' VAL . . . . . 0.536 ' O ' HG13 ' S' ' 24' ' ' ILE . 3.0 t -84.39 -30.44 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 CA-C-N 114.967 -1.015 . . . . 0.19 112.008 -177.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 21' ' ' HIS . . . . . 0.684 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 2.2 t-160 -83.02 -31.49 27.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 118.907 -1.117 . . . . 1.1699999999999999 109.665 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 22' ' ' ASP . . . . . 0.479 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 19.7 t70 -56.48 -60.25 3.8 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 118.136 -1.425 . . . . 0.26000000000000001 107.813 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -54.86 -39.75 68.95 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 119.848 -0.741 . . . . 0.73999999999999999 112.952 176.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 24' ' ' ILE . . . . . 0.896 HG21 ' HA ' ' S' ' 33' ' ' ASN . 67.7 mt -62.48 -66.65 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 113.025 0.75 . . . . 0.12 113.025 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 25' ' ' GLN . . . . . 0.592 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 34.1 mt-30 -36.05 -56.03 0.75 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.956 0.884 . . . . 1.1899999999999999 109.488 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -52.56 -64.52 0.79 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.125 -1.398 . . . . 2.3900000000000001 111.205 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.63 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 10.1 mt -93.23 -60.4 1.8 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 116.507 2.04 . . . . 0.60999999999999999 116.507 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.765 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.82 -7.94 59.62 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 117.224 2.305 . . . . 1.3100000000000001 117.224 -172.677 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 29' ' ' ASP . . . . . 0.592 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 17.1 t70 -34.43 -21.55 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.788 1.773 . . . . 2.1699999999999999 115.788 -173.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 30' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' S' ' 28' ' ' LYS . 18.0 t70 -87.99 -73.78 0.47 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.793 1.179 . . . . 2.1400000000000001 111.818 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 31' ' ' VAL . . . . . 0.687 HG13 ' H ' ' S' ' 32' ' ' GLY . 5.8 p -88.06 -58.42 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 113.615 0.969 . . . . 1.3200000000000001 113.615 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.765 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -51.92 -15.96 2.66 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-N 114.98 -1.009 . . . . 0.19 112.769 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 33' ' ' ASN . . . . . 0.896 ' HA ' HG21 ' S' ' 24' ' ' ILE . 57.9 t30 -50.63 -5.14 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.261 0.838 . . . . 2.0499999999999998 113.261 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 34' ' ' LYS . . . . . 0.574 ' O ' HG23 ' S' ' 38' ' ' VAL . 4.4 tmtp? -85.73 -40.64 15.88 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.133 -0.627 . . . . 1.04 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 35' ' ' ALA . . . . . 0.583 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -39.69 -36.81 0.45 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.541 -0.754 . . . . 0.23999999999999999 111.899 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 36' ' ' ALA . . . . . 0.439 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -70.04 -65.43 0.72 Allowed 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.177 -0.675 . . . . 0.58999999999999997 109.177 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -43.95 -21.71 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.092 -0.503 . . . . 2.2400000000000002 112.227 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 38' ' ' VAL . . . . . 0.574 HG23 ' O ' ' S' ' 34' ' ' LYS . 97.0 t -73.21 -51.38 26.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.861 0.362 . . . . 0.45000000000000001 110.355 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 39' ' ' ARG . . . . . 0.551 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 4.2 tmt_? -48.94 -40.12 29.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.93 -0.577 . . . . 1.24 110.696 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -75.71 -22.02 57.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.70999999999999996 111.528 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.38 -57.09 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.754 0.312 . . . . 0.28000000000000003 111.174 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 42' ' ' VAL . . . . . 0.406 HG23 ' N ' ' S' ' 43' ' ' SER . 3.6 m -61.72 -47.11 94.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.148 0.499 . . . . 0.35999999999999999 111.38 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 43' ' ' SER . . . . . 0.406 ' N ' HG23 ' S' ' 42' ' ' VAL . 39.4 t -52.37 -52.17 54.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.402 -0.817 . . . . 1.24 109.926 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -49.68 -41.04 42.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.341 -0.845 . . . . 1.3100000000000001 111.849 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 86.5 m -56.77 -39.68 74.49 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.17 0.509 . . . . 0.81000000000000005 110.916 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 46' ' ' VAL . . . . . . . . . . . . . 90.6 t -74.68 -63.33 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.609 -0.723 . . . . 0.34000000000000002 109.545 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 47' ' ' GLU . . . . . 0.841 ' HB3' HD21 ' S' ' 66' ' ' LEU . 0.9 OUTLIER -45.25 -18.95 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.108 -0.951 . . . . 2.4399999999999999 112.386 178.78 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 48' ' ' SER . . . . . 0.642 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 63.4 m -82.34 -59.84 2.41 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.132 -0.627 . . . . 1.0 110.067 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 49' ' ' ILE . . . . . 0.56 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.6 pp -63.91 -18.77 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.55 -0.75 . . . . 0.34000000000000002 111.434 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 50' ' ' LYS . . . . . 0.714 ' HG3' ' N ' ' S' ' 51' ' ' ASP . 13.1 ptmt -75.5 -62.08 1.69 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.608 0.595 . . . . 1.5900000000000001 112.608 -178.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 51' ' ' ASP . . . . . 0.714 ' N ' ' HG3' ' S' ' 50' ' ' LYS . 0.3 OUTLIER -88.41 -38.88 14.71 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 115.077 1.51 . . . . 1.0600000000000001 115.077 -176.778 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 52' ' ' LYS . . . . . 0.578 ' HB2' ' HA ' ' S' ' 1' ' ' MET . 35.7 ttmt -76.17 -40.76 51.73 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.249 -0.58 . . . . 2.23 110.463 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 53' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.3 mm? -83.15 -8.2 59.53 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 109.167 -0.679 . . . . 0.66000000000000003 109.167 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 54' ' ' SER . . . . . 0.492 ' HB3' ' HA ' ' S' ' 51' ' ' ASP . 15.7 p -43.72 -37.88 2.88 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.524 -1.216 . . . . 0.85999999999999999 111.662 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.5 -29.4 2.69 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.852 -0.689 . . . . 0.52000000000000002 112.516 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -161.53 124.38 1.31 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.881 -0.676 . . . . 1.1299999999999999 112.327 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 77.3 p -109.26 113.29 26.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.89 0.376 . . . . 1.29 111.043 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 47.3 t -139.23 -29.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 1.95 110.848 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 59' ' ' SER . . . . . 0.489 ' C ' ' H ' ' S' ' 61' ' ' ALA . 60.4 m -99.0 125.36 44.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 1.28 110.821 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 60' ' ' ARG . . . . . 0.704 ' HB3' ' HA ' ' S' ' 3' ' ' GLN . 28.0 tpt180 69.59 -16.55 0.26 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.269 -0.423 . . . . 2.5600000000000001 111.745 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 61' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' S' ' 59' ' ' SER . . . -49.04 -18.87 0.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.244 0.461 . . . . 1.1000000000000001 112.244 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 48.0 t -68.48 -1.81 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.564 -0.289 . . . . 1.6699999999999999 111.18 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 89.1 p -116.58 125.77 52.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 2.3100000000000001 111.081 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -113.92 118.15 33.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 6.0099999999999998 110.486 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 65' ' ' THR . . . . . 0.429 ' OG1' ' HG3' ' S' ' 9' ' ' MET . 66.2 p -135.28 -60.27 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.366 -0.379 . . . . 1.6399999999999999 111.749 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 66' ' ' LEU . . . . . 0.841 HD21 ' HB3' ' S' ' 47' ' ' GLU . 9.8 mp -45.96 -59.63 2.72 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.935 0.397 . . . . 1.8300000000000001 110.656 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.207 -0.901 . . . . 3.5499999999999998 110.885 179.739 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' S' S ' 1' ' ' MET . . . . . 0.596 ' SD ' ' HA ' ' S' ' 48' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.968 0.413 . . . . 1.4199999999999999 111.052 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 2' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' S' ' 51' ' ' ASP . 41.3 t0 -95.29 -120.46 0.1 Allowed 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.83 -0.623 . . . . 1.97 111.755 -178.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 3' ' ' GLN . . . . . 0.564 ' HB3' ' HB2' ' S' ' 59' ' ' SER . 29.4 pt20 -80.71 -11.54 59.61 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 112.389 0.514 . . . . 1.8 112.389 -178.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 4' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.8 OUTLIER -61.19 -25.59 67.14 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 118.986 -1.086 . . . . 1.3700000000000001 111.954 -176.451 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 5' ' ' THR . . . . . 0.54 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 99.4 m -59.36 -63.02 1.45 Allowed 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.298 -0.961 . . . . 1.04 109.33 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 6' ' ' ARG . . . . . 0.461 ' HG3' ' HG3' ' S' ' 60' ' ' ARG . 47.6 mtp180 -42.88 -66.47 0.37 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.879 -0.6 . . . . 1.95 112.573 179.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.08 -49.65 42.27 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 115.0 1.481 . . . . 1.3 115.0 -177.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 8' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 75.2 mm-40 -82.7 -60.23 2.25 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.377 0.51 . . . . 1.3400000000000001 112.377 -176.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 9' ' ' MET . . . . . 0.576 ' HG2' HG21 ' S' ' 65' ' ' THR . 13.3 tpt -48.08 -48.11 33.66 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.492 -0.483 . . . . 1.3400000000000001 111.573 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 10' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 60.6 mtpt -67.84 -41.05 83.55 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.317 0.488 . . . . 3.1899999999999999 112.317 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 11' ' ' ASN . . . . . 0.436 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 19.6 t-20 -83.39 -61.95 1.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.216 0.45 . . . . 1.27 112.216 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 12' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.45 -52.8 7.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.854 0.359 . . . . 0.20000000000000001 110.634 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.12 -55.16 34.24 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.107 -0.701 . . . . 0.17999999999999999 109.107 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 14' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -40.9 -54.38 2.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.574 -0.739 . . . . 0.17000000000000001 112.521 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -68.48 -19.41 64.54 Favored 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 113.463 0.912 . . . . 1.28 113.463 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 16' ' ' ALA . . . . . 0.465 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -85.59 -31.86 22.4 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-O 121.644 0.735 . . . . 0.14000000000000001 109.105 -177.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 17' ' ' LYS . . . . . 0.715 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 31.3 mmtp -78.91 -32.41 45.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.498 -1.228 . . . . 1.3500000000000001 110.17 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 18' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 17.5 t70 -78.27 -29.47 48.0 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.066 -0.515 . . . . 2.1400000000000001 110.327 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -87.51 -65.33 1.03 Allowed 'General case' 0 C--O 1.248 1.007 0 C-N-CA 119.449 -0.9 . . . . 2.0 111.575 -177.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 20' ' ' VAL . . . . . 0.53 ' O ' HG13 ' S' ' 24' ' ' ILE . 2.1 t -83.97 -30.62 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 CA-C-N 115.107 -0.951 . . . . 0.19 112.152 -177.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 21' ' ' HIS . . . . . 0.715 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.3 t-80 -82.51 -31.95 28.96 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 118.855 -1.138 . . . . 1.1699999999999999 109.63 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 22' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 23.6 t70 -55.79 -61.04 2.63 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 118.24 -1.384 . . . . 0.26000000000000001 107.766 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 23' ' ' LYS . . . . . 0.445 ' HE3' ' HE2' ' S' ' 28' ' ' LYS . 17.3 ptmt -55.33 -41.98 73.19 Favored 'General case' 0 C--N 1.344 0.332 0 N-CA-C 113.196 0.813 . . . . 0.73999999999999999 113.196 176.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 24' ' ' ILE . . . . . 0.852 HG21 ' HA ' ' S' ' 33' ' ' ASN . 67.9 mt -60.81 -66.21 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 113.038 0.755 . . . . 0.12 113.038 -177.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 25' ' ' GLN . . . . . 0.597 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 21.2 mt-30 -36.02 -55.24 0.76 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.858 0.837 . . . . 1.1899999999999999 109.423 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -53.55 -64.82 0.7 Allowed 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.043 -1.435 . . . . 2.3900000000000001 111.169 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.548 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 11.7 mt -93.35 -60.38 1.8 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.628 2.085 . . . . 0.60999999999999999 116.628 -178.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.71 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 1.9 mptp? -81.95 -8.22 59.66 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 117.093 2.257 . . . . 1.3100000000000001 117.093 -172.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 29' ' ' ASP . . . . . 0.597 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 17.9 t70 -34.25 -22.78 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 115.587 1.699 . . . . 2.1699999999999999 115.587 -173.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 30' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' S' ' 28' ' ' LYS . 10.4 m-20 -88.3 -73.58 0.49 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.592 1.087 . . . . 2.1400000000000001 111.78 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 31' ' ' VAL . . . . . 0.594 HG23 ' H ' ' S' ' 32' ' ' GLY . 2.4 m -89.29 -58.41 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 113.862 1.06 . . . . 1.3200000000000001 113.862 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.71 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -52.47 -15.96 3.26 Favored Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.556 -0.747 . . . . 0.19 112.749 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 33' ' ' ASN . . . . . 0.852 ' HA ' HG21 ' S' ' 24' ' ' ILE . 5.0 t30 -52.95 -3.63 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.302 0.853 . . . . 2.0499999999999998 113.302 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 34' ' ' LYS . . . . . 0.447 ' O ' HG23 ' S' ' 38' ' ' VAL . 5.4 tmtp? -84.84 -30.76 24.24 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.474 -0.49 . . . . 1.04 110.97 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 35' ' ' ALA . . . . . 0.536 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -53.92 -34.08 58.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.23999999999999999 112.113 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 36' ' ' ALA . . . . . 0.558 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -80.62 -21.83 41.15 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.525 0.678 . . . . 0.58999999999999997 109.995 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -83.46 -28.96 28.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.051 -0.977 . . . . 2.2400000000000002 109.788 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 38' ' ' VAL . . . . . 0.447 HG23 ' O ' ' S' ' 34' ' ' LYS . 97.6 t -75.23 -43.19 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.546 -0.752 . . . . 0.45000000000000001 109.51 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 39' ' ' ARG . . . . . 0.465 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 2.6 tmt_? -52.47 -48.14 66.06 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.789 -0.641 . . . . 1.24 109.998 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -71.4 -21.73 61.96 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.417 -0.356 . . . . 0.70999999999999996 111.093 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 41' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' S' ' 38' ' ' VAL . . . -64.76 -57.3 9.32 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.376 -0.374 . . . . 0.28000000000000003 111.449 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 m -56.67 -45.61 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.035 0.445 . . . . 0.35999999999999999 111.165 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 58.8 m -53.44 -54.22 40.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.468 -0.787 . . . . 1.24 110.03 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 57.9 m -49.96 -39.33 40.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.361 -0.836 . . . . 1.3100000000000001 111.812 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 51.4 m -58.32 -38.77 77.78 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.183 0.516 . . . . 0.81000000000000005 110.629 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 46' ' ' VAL . . . . . 0.492 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 59.7 t -74.03 -63.75 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.46 -0.791 . . . . 0.34000000000000002 109.326 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 47' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 6.2 mt-10 -40.56 -20.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.91 -1.041 . . . . 2.4399999999999999 112.71 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 48' ' ' SER . . . . . 0.596 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 70.1 m -86.15 -59.97 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.745 -0.382 . . . . 1.0 111.476 -177.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 49' ' ' ILE . . . . . 0.624 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.4 pp -63.49 -19.44 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.22 -0.445 . . . . 0.34000000000000002 111.884 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 50' ' ' LYS . . . . . 0.767 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -80.36 -60.86 2.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.769 0.655 . . . . 1.5900000000000001 112.769 -178.572 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 51' ' ' ASP . . . . . 0.767 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.5 OUTLIER -85.82 -37.93 18.69 Favored 'General case' 0 N--CA 1.461 0.093 0 N-CA-C 114.61 1.337 . . . . 1.0600000000000001 114.61 -177.761 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 52' ' ' LYS . . . . . 0.5 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 36.8 ttmt -79.25 -36.1 40.42 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.835 -0.746 . . . . 2.23 110.524 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 53' ' ' LEU . . . . . 0.586 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 0.3 OUTLIER -85.55 -5.94 59.23 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.72 -0.844 . . . . 0.66000000000000003 108.72 177.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 54' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 41.5 t -44.13 -39.96 4.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.659 -1.155 . . . . 0.85999999999999999 111.217 179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.12 -26.1 3.43 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.863 -0.684 . . . . 0.52000000000000002 112.322 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -170.69 108.38 0.29 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.766 -0.73 . . . . 1.1299999999999999 112.611 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -85.61 135.59 33.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.565 0.221 . . . . 1.29 110.496 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 47.8 t -141.91 -39.24 0.38 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.93 0.344 . . . . 1.95 111.93 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 59' ' ' SER . . . . . 0.564 ' HB2' ' HB3' ' S' ' 3' ' ' GLN . 68.7 m -63.62 -103.36 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.728 -0.214 . . . . 1.28 111.3 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 60' ' ' ARG . . . . . 0.618 ' HD2' ' HB3' ' S' ' 63' ' ' SER . 0.1 OUTLIER -85.56 47.83 1.49 Allowed 'General case' 0 N--CA 1.457 -0.101 0 CA-C-O 120.972 0.415 . . . . 2.5600000000000001 110.62 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.86 69.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.064 -0.516 . . . . 1.1000000000000001 111.787 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 44.7 t -71.45 -1.77 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 1.6699999999999999 111.544 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 63' ' ' SER . . . . . 0.618 ' HB3' ' HD2' ' S' ' 60' ' ' ARG . 94.3 p -60.67 170.27 1.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.971 0.415 . . . . 2.3100000000000001 111.493 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -172.35 73.51 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.834 -0.621 . . . . 6.0099999999999998 110.332 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 65' ' ' THR . . . . . 0.576 HG21 ' HG2' ' S' ' 9' ' ' MET . 73.0 p -122.67 -63.88 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.429 -0.35 . . . . 1.6399999999999999 111.792 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 66' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' S' ' 47' ' ' GLU . 1.2 mt -60.01 -59.15 5.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 1.8300000000000001 110.713 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.31 -0.853 . . . . 3.5499999999999998 110.895 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' S' S ' 1' ' ' MET . . . . . 0.606 ' SD ' ' HA ' ' S' ' 48' ' ' SER . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.935 0.397 . . . . 1.4199999999999999 111.144 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 2' ' ' ASP . . . . . 0.599 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 36.1 t70 -89.14 -121.64 0.05 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.826 -0.624 . . . . 1.97 110.749 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 3' ' ' GLN . . . . . 0.514 ' HA ' ' HB3' ' S' ' 60' ' ' ARG . 27.9 pt20 -80.05 -12.42 59.69 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 111.749 0.278 . . . . 1.8 111.749 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 4' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.9 OUTLIER -62.64 -25.09 67.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 119.01 -1.076 . . . . 1.3700000000000001 111.55 -176.649 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 5' ' ' THR . . . . . 0.503 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 1.1 p -58.77 -63.69 1.2 Allowed 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 119.753 -0.779 . . . . 1.04 109.68 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 6' ' ' ARG . . . . . 0.636 ' HD3' ' HB2' ' S' ' 60' ' ' ARG . 35.7 mtm180 -43.29 -66.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.004 0.742 . . . . 1.95 113.004 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -73.27 -45.89 53.15 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 114.929 1.455 . . . . 1.3 114.929 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 8' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 15.0 mm-40 -82.29 -60.81 2.08 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.489 -0.484 . . . . 1.3400000000000001 112.161 -177.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 9' ' ' MET . . . . . 0.503 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 12.1 tpt -48.11 -48.28 33.95 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.036 0.384 . . . . 1.3400000000000001 112.036 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 10' ' ' LYS . . . . . 0.556 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 0.6 OUTLIER -69.0 -40.72 78.55 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.462 0.542 . . . . 3.1899999999999999 112.462 -179.427 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 11' ' ' ASN . . . . . 0.479 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 21.6 t-20 -82.96 -61.67 1.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.203 0.446 . . . . 1.27 112.203 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 12' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.93 -52.7 8.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.20000000000000001 110.592 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.71 -54.09 42.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.231 -0.655 . . . . 0.17999999999999999 109.231 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 14' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -40.94 -53.64 2.9 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.468 -0.787 . . . . 0.17000000000000001 112.321 178.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -68.78 -19.33 64.3 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 113.278 0.844 . . . . 1.28 113.278 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.07 -33.24 21.02 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.572 0.701 . . . . 0.14000000000000001 109.284 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 17' ' ' LYS . . . . . 0.678 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 41.9 mmtm -78.81 -33.07 46.45 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.515 -1.22 . . . . 1.3500000000000001 110.128 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 18' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 17.2 t70 -77.52 -29.57 52.48 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.163 0.506 . . . . 2.1400000000000001 109.98 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -87.44 -65.54 1.0 Allowed 'General case' 0 C--O 1.247 0.973 0 C-N-CA 119.545 -0.862 . . . . 2.0 111.444 -177.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 20' ' ' VAL . . . . . 0.47 ' O ' HG13 ' S' ' 24' ' ' ILE . 1.9 t -84.6 -30.49 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 115.246 -0.888 . . . . 0.19 112.383 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 21' ' ' HIS . . . . . 0.678 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 5.6 t60 -82.66 -30.43 29.31 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 119.025 -1.07 . . . . 1.1699999999999999 109.684 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 22' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 20.5 t70 -58.29 -60.57 3.56 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 118.066 -1.454 . . . . 0.26000000000000001 107.555 178.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 23' ' ' LYS . . . . . 0.412 ' HE3' ' HE3' ' S' ' 28' ' ' LYS . 19.0 ptmt -55.41 -44.06 75.86 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 113.5 0.926 . . . . 0.73999999999999999 113.5 176.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 24' ' ' ILE . . . . . 0.811 HG21 ' HA ' ' S' ' 33' ' ' ASN . 67.7 mt -59.33 -66.19 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 N-CA-C 112.751 0.648 . . . . 0.12 112.751 -177.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 25' ' ' GLN . . . . . 0.592 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 2.5 mt-30 -35.81 -56.08 0.71 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.928 0.871 . . . . 1.1899999999999999 109.573 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -52.41 -64.95 0.65 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.095 -1.411 . . . . 2.3900000000000001 111.276 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.543 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 16.8 mt -93.43 -60.05 1.87 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 116.476 2.028 . . . . 0.60999999999999999 116.476 -178.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.732 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.25 -7.97 59.63 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 117.103 2.26 . . . . 1.3100000000000001 117.103 -172.635 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 29' ' ' ASP . . . . . 0.592 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 19.9 t70 -34.05 -22.13 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.365 1.617 . . . . 2.1699999999999999 115.365 -173.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 30' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' S' ' 28' ' ' LYS . 11.3 m-20 -88.42 -73.47 0.49 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.565 1.075 . . . . 2.1400000000000001 111.853 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 31' ' ' VAL . . . . . 0.589 HG23 ' H ' ' S' ' 32' ' ' GLY . 2.3 m -89.43 -58.24 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 113.929 1.085 . . . . 1.3200000000000001 113.929 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.732 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -51.47 -15.58 1.98 Allowed Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.593 -0.731 . . . . 0.19 112.787 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 33' ' ' ASN . . . . . 0.811 ' HA ' HG21 ' S' ' 24' ' ' ILE . 59.3 t30 -52.76 -4.28 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.144 0.794 . . . . 2.0499999999999998 113.144 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 34' ' ' LYS . . . . . 0.647 ' O ' HG23 ' S' ' 38' ' ' VAL . 19.2 tptm -86.14 -20.58 28.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.102 -0.373 . . . . 1.04 111.222 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 35' ' ' ALA . . . . . 0.588 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -64.73 -35.49 81.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.474 -0.33 . . . . 0.23999999999999999 111.468 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 36' ' ' ALA . . . . . 0.504 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -81.53 -22.25 38.03 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.596 0.712 . . . . 0.58999999999999997 109.712 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 37' ' ' GLU . . . . . 0.562 ' HB2' ' HD2' ' S' ' 34' ' ' LYS . 11.3 mm-40 -83.0 -32.23 27.06 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.87 -1.059 . . . . 2.2400000000000002 109.75 -178.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 38' ' ' VAL . . . . . 0.647 HG23 ' O ' ' S' ' 34' ' ' LYS . 64.5 t -72.02 -42.16 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 108.857 -0.794 . . . . 0.45000000000000001 108.857 178.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -50.19 -47.75 54.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.276 -0.874 . . . . 1.24 109.898 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.42 -22.12 62.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.316 -0.402 . . . . 0.70999999999999996 111.473 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.66 -57.37 7.31 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.758 0.281 . . . . 0.28000000000000003 111.758 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -57.49 -46.69 85.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.13 0.491 . . . . 0.35999999999999999 111.001 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 50.9 m -55.68 -53.65 54.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.401 -0.818 . . . . 1.24 109.909 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 44' ' ' SER . . . . . 0.44 ' HB2' ' HB3' ' S' ' 66' ' ' LEU . 8.5 p -48.38 -40.33 25.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.505 -0.77 . . . . 1.3100000000000001 111.437 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 45' ' ' THR . . . . . 0.458 ' O ' HG13 ' S' ' 49' ' ' ILE . 88.1 m -59.41 -37.6 78.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.958 0.409 . . . . 0.81000000000000005 110.929 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 46' ' ' VAL . . . . . . . . . . . . . 90.3 t -77.4 -64.41 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.742 -0.663 . . . . 0.34000000000000002 110.217 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 47' ' ' GLU . . . . . 0.65 ' HB3' HD11 ' S' ' 66' ' ' LEU . 0.6 OUTLIER -44.91 -18.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.451 -0.795 . . . . 2.4399999999999999 112.425 178.754 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 48' ' ' SER . . . . . 0.606 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 45.3 t -86.53 -60.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.669 -0.412 . . . . 1.0 111.667 -177.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 49' ' ' ILE . . . . . 0.7 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -62.45 -19.56 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.502 . . . . 0.34000000000000002 111.736 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 50' ' ' LYS . . . . . 0.7 ' N ' HD12 ' S' ' 49' ' ' ILE . 0.0 OUTLIER -80.84 -59.41 2.68 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.806 0.669 . . . . 1.5900000000000001 112.806 -178.348 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 51' ' ' ASP . . . . . 0.409 ' OD2' ' HB3' ' S' ' 4' ' ' GLU . 0.3 OUTLIER -85.94 -39.4 16.96 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 114.585 1.328 . . . . 1.0600000000000001 114.585 -178.242 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 52' ' ' LYS . . . . . 0.51 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 40.2 ttpt -77.16 -44.24 30.98 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.168 -0.613 . . . . 2.23 110.567 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 53' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.1 mm? -79.67 -5.31 54.88 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.474 0.654 . . . . 0.66000000000000003 109.272 178.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 54' ' ' SER . . . . . 0.49 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 37.2 t -42.96 -39.69 2.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.458 -1.247 . . . . 0.85999999999999999 111.6 -179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.79 -22.64 5.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.52000000000000002 112.771 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.26 87.08 0.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.654 -0.784 . . . . 1.1299999999999999 112.67 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 81.4 p -83.32 109.8 17.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.308 . . . . 1.29 110.785 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 47.1 t -127.67 -20.35 3.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 1.95 111.281 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 59' ' ' SER . . . . . . . . . . . . . 73.5 m -67.98 -97.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.522 -0.308 . . . . 1.28 110.998 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 60' ' ' ARG . . . . . 0.636 ' HB2' ' HD3' ' S' ' 6' ' ' ARG . 25.0 tpt180 -97.65 46.63 1.02 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 121.212 0.53 . . . . 2.5600000000000001 110.523 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.99 -3.58 33.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.991 -0.55 . . . . 1.1000000000000001 111.853 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 83.5 p -89.18 -1.55 58.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.44 -0.345 . . . . 1.6699999999999999 111.731 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 63' ' ' SER . . . . . 0.418 ' OG ' ' HG3' ' S' ' 60' ' ' ARG . 69.2 p -118.83 119.31 34.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 2.3100000000000001 111.772 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -108.95 131.72 54.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.92 -0.582 . . . . 6.0099999999999998 109.917 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 65' ' ' THR . . . . . 0.499 HG21 ' HG2' ' S' ' 9' ' ' MET . 34.1 p -137.87 -60.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.831 0.308 . . . . 1.6399999999999999 111.831 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 66' ' ' LEU . . . . . 0.65 HD11 ' HB3' ' S' ' 47' ' ' GLU . 3.6 mt -57.2 -37.26 71.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 1.8300000000000001 110.821 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.18 -0.914 . . . . 3.5499999999999998 110.876 179.752 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' S' S ' 1' ' ' MET . . . . . 0.683 ' SD ' HD12 ' S' ' 66' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.79 0.328 . . . . 1.4199999999999999 111.123 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 2' ' ' ASP . . . . . 0.571 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 38.8 t70 -87.82 -111.62 0.06 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.117 -0.492 . . . . 1.97 110.391 -178.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 3' ' ' GLN . . . . . 0.585 ' HA ' ' HB3' ' S' ' 60' ' ' ARG . 20.7 tm0? -80.0 -14.5 58.52 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 120.856 0.36 . . . . 1.8 111.351 -179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 4' ' ' GLU . . . . . 0.619 ' HG3' ' HB3' ' S' ' 1' ' ' MET . 0.2 OUTLIER -74.4 -17.97 60.73 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 118.892 -1.123 . . . . 1.3700000000000001 111.827 -176.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 5' ' ' THR . . . . . 0.539 ' O ' ' HB3' ' S' ' 9' ' ' MET . 87.9 m -60.27 -63.76 1.19 Allowed 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 119.19 -1.004 . . . . 1.04 108.835 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 6' ' ' ARG . . . . . 0.596 ' HD2' ' HB2' ' S' ' 60' ' ' ARG . 14.3 ptm180 -48.48 -63.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.0 -0.545 . . . . 1.95 112.451 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 7' ' ' ASP . . . . . 0.445 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.2 OUTLIER -68.62 -50.26 52.81 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 114.705 1.372 . . . . 1.3 114.705 -177.04 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 8' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 76.4 mm-40 -82.96 -62.37 1.62 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.673 0.62 . . . . 1.3400000000000001 112.673 -176.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 9' ' ' MET . . . . . 0.539 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.2 tpt -46.25 -47.57 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.688 -0.405 . . . . 1.3400000000000001 111.88 -178.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 10' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 0.2 OUTLIER -68.51 -43.68 76.29 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 112.395 0.517 . . . . 3.1899999999999999 112.395 -179.745 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 11' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 5.5 t30 -80.71 -61.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.29 0.478 . . . . 1.27 112.29 -178.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 12' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.88 -53.28 7.73 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.852 0.358 . . . . 0.20000000000000001 110.527 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.03 47.11 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.095 -0.705 . . . . 0.17999999999999999 109.095 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 14' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -41.41 -54.08 3.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.63 -0.714 . . . . 0.17000000000000001 112.439 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -68.68 -19.16 64.37 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 113.009 0.744 . . . . 1.28 113.009 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 16' ' ' ALA . . . . . 0.477 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -86.32 -32.98 20.74 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.752 0.787 . . . . 0.14000000000000001 109.071 -178.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 17' ' ' LYS . . . . . 0.701 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 30.8 mmtp -78.27 -33.1 49.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.338 -1.301 . . . . 1.3500000000000001 109.94 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 18' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 18.6 t70 -78.63 -29.05 45.66 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.818 -0.628 . . . . 2.1400000000000001 109.978 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -87.59 -65.51 1.01 Allowed 'General case' 0 C--O 1.247 0.961 0 C-N-CA 119.573 -0.851 . . . . 2.0 111.206 -177.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 20' ' ' VAL . . . . . 0.516 ' O ' HG13 ' S' ' 24' ' ' ILE . 2.1 t -84.11 -31.44 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.727 0 CA-C-N 115.06 -0.973 . . . . 0.19 112.141 -177.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 21' ' ' HIS . . . . . 0.701 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.1 t-160 -82.61 -31.91 28.65 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 118.957 -1.097 . . . . 1.1699999999999999 109.899 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 22' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 15.3 t70 -55.85 -60.62 3.2 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 118.006 -1.478 . . . . 0.26000000000000001 107.459 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -54.73 -43.29 72.5 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 113.269 0.84 . . . . 0.73999999999999999 113.269 176.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 24' ' ' ILE . . . . . 0.853 HG21 ' HA ' ' S' ' 33' ' ' ASN . 73.0 mt -60.95 -66.54 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 113.224 0.824 . . . . 0.12 113.224 -177.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 25' ' ' GLN . . . . . 0.577 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 15.4 mt-30 -35.96 -54.9 0.76 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.916 0.865 . . . . 1.1899999999999999 109.567 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -54.2 -64.97 0.66 Allowed 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.072 -1.422 . . . . 2.3900000000000001 111.201 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.611 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 12.9 mt -93.24 -60.4 1.8 Allowed 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 116.593 2.072 . . . . 0.60999999999999999 116.593 -178.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.744 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.23 -7.86 59.63 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 117.089 2.255 . . . . 1.3100000000000001 117.089 -172.622 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 29' ' ' ASP . . . . . 0.577 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 20.4 t70 -34.28 -21.34 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.42 1.637 . . . . 2.1699999999999999 115.42 -173.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 30' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' S' ' 28' ' ' LYS . 4.8 m-20 -88.43 -73.32 0.5 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.568 1.076 . . . . 2.1400000000000001 111.674 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 31' ' ' VAL . . . . . 0.579 HG23 ' H ' ' S' ' 32' ' ' GLY . 2.1 m -89.92 -58.28 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 113.998 1.11 . . . . 1.3200000000000001 113.998 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.744 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -52.65 -15.88 3.4 Favored Glycine 0 CA--C 1.522 0.516 0 CA-C-N 115.54 -0.754 . . . . 0.19 112.91 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 33' ' ' ASN . . . . . 0.853 ' HA ' HG21 ' S' ' 24' ' ' ILE . 64.8 t30 -53.14 -3.59 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.328 0.862 . . . . 2.0499999999999998 113.328 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 34' ' ' LYS . . . . . 0.533 ' O ' HG23 ' S' ' 38' ' ' VAL . 5.2 tmtp? -84.24 -32.49 24.45 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.27 -0.572 . . . . 1.04 110.965 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 35' ' ' ALA . . . . . 0.499 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -53.09 -32.56 47.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.36 0.504 . . . . 0.23999999999999999 112.36 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 36' ' ' ALA . . . . . 0.523 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -80.89 -22.43 39.8 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.396 0.617 . . . . 0.58999999999999997 110.317 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 37' ' ' GLU . . . . . 0.425 ' HB2' ' HD3' ' S' ' 34' ' ' LYS . 37.4 mt-10 -84.09 -27.01 28.54 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.207 -0.906 . . . . 2.2400000000000002 109.476 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 38' ' ' VAL . . . . . 0.533 HG23 ' O ' ' S' ' 34' ' ' LYS . 77.9 t -75.53 -44.75 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.477 -0.783 . . . . 0.45000000000000001 109.405 178.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 39' ' ' ARG . . . . . 0.477 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 2.5 tmt_? -51.33 -49.12 61.98 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.622 -0.717 . . . . 1.24 110.254 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -70.88 -21.8 62.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.373 -0.376 . . . . 0.70999999999999996 111.231 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.93 -57.43 6.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.436 -0.347 . . . . 0.28000000000000003 111.863 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -56.58 -46.22 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.175 0.512 . . . . 0.35999999999999999 111.038 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 39.7 t -52.86 -51.14 62.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.369 -0.832 . . . . 1.24 109.883 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 6.8 p -49.14 -37.94 23.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.448 -0.796 . . . . 1.3100000000000001 111.436 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 71.1 m -59.79 -40.01 86.87 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.99 0.424 . . . . 0.81000000000000005 110.762 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 46' ' ' VAL . . . . . . . . . . . . . 61.9 t -75.14 -61.69 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.34000000000000002 109.61 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 47' ' ' GLU . . . . . 0.676 ' HB3' HD11 ' S' ' 66' ' ' LEU . 33.9 mt-10 -40.8 -21.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.884 -1.053 . . . . 2.4399999999999999 112.451 178.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 48' ' ' SER . . . . . 0.633 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 68.9 m -87.02 -59.82 2.15 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.785 -0.366 . . . . 1.0 111.548 -178.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 49' ' ' ILE . . . . . 0.591 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.4 pp -58.91 -19.05 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.965 0.412 . . . . 0.34000000000000002 111.482 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 50' ' ' LYS . . . . . 0.753 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -81.23 -60.78 2.16 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 120.236 -0.585 . . . . 1.5900000000000001 112.13 -179.174 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 51' ' ' ASP . . . . . 0.753 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.2 OUTLIER -86.62 -40.51 15.09 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 114.066 1.135 . . . . 1.0600000000000001 114.066 -178.829 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 52' ' ' LYS . . . . . 0.535 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 0.9 OUTLIER -73.63 -41.64 62.51 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.651 -0.42 . . . . 2.23 110.553 -178.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 53' ' ' LEU . . . . . 0.539 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.1 mm? -83.42 -7.12 59.61 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 121.378 0.608 . . . . 0.66000000000000003 109.469 178.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 54' ' ' SER . . . . . 0.521 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 46.8 t -43.91 -37.69 3.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.641 -1.163 . . . . 0.85999999999999999 111.688 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.92 -25.65 16.09 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.806 -0.711 . . . . 0.52000000000000002 112.372 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.34 58.75 0.55 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.899 -0.667 . . . . 1.1299999999999999 112.391 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 72.6 p -63.84 106.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.713 0.292 . . . . 1.29 110.928 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 58.0 m -157.37 85.32 0.92 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.266 -0.424 . . . . 1.95 111.263 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 59' ' ' SER . . . . . 0.582 ' HB3' ' HB2' ' S' ' 3' ' ' GLN . 36.4 t -168.11 -88.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 1.28 110.744 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 60' ' ' ARG . . . . . 0.596 ' HB2' ' HD2' ' S' ' 6' ' ' ARG . 29.9 tpt180 -94.48 18.64 10.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.44 0.638 . . . . 2.5600000000000001 110.225 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.0 -15.14 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.542 -0.754 . . . . 1.1000000000000001 111.784 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 46.7 t -62.98 -8.37 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 1.6699999999999999 111.062 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 32.2 t -123.23 123.97 41.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.389 -0.369 . . . . 2.3100000000000001 111.098 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -109.68 110.25 21.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 6.0099999999999998 110.628 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 65' ' ' THR . . . . . 0.525 HG21 ' HG2' ' S' ' 9' ' ' MET . 44.6 p -119.87 -59.62 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 1.6399999999999999 111.607 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 66' ' ' LEU . . . . . 0.683 HD12 ' SD ' ' S' ' 1' ' ' MET . 6.1 mt -61.41 -53.64 53.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.33 -0.395 . . . . 1.8300000000000001 110.878 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.169 -0.92 . . . . 3.5499999999999998 110.812 179.886 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' S' S ' 1' ' ' MET . . . . . 0.67 ' SD ' ' HA ' ' S' ' 48' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.93 0.395 . . . . 1.4199999999999999 111.11 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 2' ' ' ASP . . . . . 0.561 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 26.1 t0 -85.52 -117.13 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.911 -0.586 . . . . 1.97 110.196 -179.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 3' ' ' GLN . . . . . 0.542 ' HA ' ' HB3' ' S' ' 60' ' ' ARG . 25.8 pt20 -79.98 -12.77 59.69 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.499 0.19 . . . . 1.8 111.4 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 4' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.4 OUTLIER -72.15 -19.34 61.78 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 118.995 -1.082 . . . . 1.3700000000000001 111.57 -177.09 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 5' ' ' THR . . . . . 0.497 ' O ' ' HB3' ' S' ' 9' ' ' MET . 87.7 m -61.73 -63.87 1.12 Allowed 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 119.079 -1.049 . . . . 1.04 109.177 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 6' ' ' ARG . . . . . 0.629 ' HD2' ' HB2' ' S' ' 60' ' ' ARG . 12.3 ptm180 -47.52 -63.87 0.94 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.508 0.558 . . . . 1.95 112.508 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 7' ' ' ASP . . . . . 0.442 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.1 OUTLIER -69.08 -49.43 57.32 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 114.635 1.346 . . . . 1.3 114.635 -177.373 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 8' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 10.9 mm100 -83.45 -61.53 1.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.375 0.509 . . . . 1.3400000000000001 112.375 -177.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 9' ' ' MET . . . . . 0.603 ' HG2' HG21 ' S' ' 65' ' ' THR . 13.7 tpt -48.8 -48.61 41.2 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.436 -0.505 . . . . 1.3400000000000001 111.769 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -67.13 -42.92 83.64 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.261 0.467 . . . . 3.1899999999999999 112.261 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 11' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -83.29 -62.09 1.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.332 0.493 . . . . 1.27 112.332 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 12' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.81 -52.37 8.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.715 0.293 . . . . 0.20000000000000001 110.592 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 13' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' S' ' 9' ' ' MET . . . -57.28 -55.31 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.156 -0.683 . . . . 0.17999999999999999 109.156 178.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.74 -55.02 3.14 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.788 -0.642 . . . . 0.17000000000000001 112.078 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -67.22 -18.81 65.39 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 112.456 0.539 . . . . 1.28 112.456 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 16' ' ' ALA . . . . . 0.503 ' HB2' HH11 ' S' ' 39' ' ' ARG . . . -86.08 -29.11 23.64 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.559 -0.904 . . . . 0.14000000000000001 108.559 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 17' ' ' LYS . . . . . 0.674 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 67.4 mmtt -78.83 -32.87 46.33 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 113.999 -1.455 . . . . 1.3500000000000001 109.754 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 18' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 29.0 m-20 -79.49 -27.97 41.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.961 -0.563 . . . . 2.1400000000000001 109.962 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -87.51 -65.75 0.98 Allowed 'General case' 0 C--O 1.25 1.129 0 C-N-CA 119.428 -0.909 . . . . 2.0 111.219 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 20' ' ' VAL . . . . . 0.56 ' O ' HG13 ' S' ' 24' ' ' ILE . 3.6 t -83.78 -31.89 8.44 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.69 0 CA-C-N 115.078 -0.965 . . . . 0.19 111.983 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 21' ' ' HIS . . . . . 0.674 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.4 t-80 -83.17 -31.16 27.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 119.021 -1.071 . . . . 1.1699999999999999 110.119 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 22' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 16.2 t70 -56.27 -60.36 3.62 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 118.086 -1.446 . . . . 0.26000000000000001 107.587 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 23' ' ' LYS . . . . . 0.546 ' HD3' ' HA ' ' S' ' 20' ' ' VAL . 15.0 ptmt -53.27 -40.68 64.86 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 119.732 -0.787 . . . . 0.73999999999999999 112.822 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 24' ' ' ILE . . . . . 0.85 HG21 ' HA ' ' S' ' 33' ' ' ASN . 60.2 mt -62.07 -66.95 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 113.572 0.953 . . . . 0.12 113.572 -177.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 25' ' ' GLN . . . . . 0.658 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 32.7 mt-30 -36.22 -53.9 0.81 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.84 0.829 . . . . 1.1899999999999999 109.407 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -54.68 -64.44 0.83 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.215 -1.357 . . . . 2.3900000000000001 111.096 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.611 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 15.3 mt -92.96 -59.91 1.93 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.496 2.036 . . . . 0.60999999999999999 116.496 -178.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.636 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 8.2 mptt -82.26 -8.72 59.64 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 117.049 2.24 . . . . 1.3100000000000001 117.049 -172.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 29' ' ' ASP . . . . . 0.658 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 4.6 p-10 -34.86 -24.01 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 115.844 1.794 . . . . 2.1699999999999999 115.844 -173.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 30' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' S' ' 28' ' ' LYS . 19.4 t70 -88.79 -74.23 0.47 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.654 1.116 . . . . 2.1400000000000001 112.207 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 31' ' ' VAL . . . . . 0.703 HG13 ' H ' ' S' ' 32' ' ' GLY . 2.1 p -87.88 -59.14 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.347 -0.842 . . . . 1.3200000000000001 113.115 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.703 ' H ' HG13 ' S' ' 31' ' ' VAL . . . -54.61 -15.64 6.32 Favored Glycine 0 C--N 1.312 -0.779 0 CA-C-N 114.433 -1.258 . . . . 0.19 112.395 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 33' ' ' ASN . . . . . 0.85 ' HA ' HG21 ' S' ' 24' ' ' ILE . 18.6 p-10 -53.46 -4.0 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.918 1.081 . . . . 2.0499999999999998 113.918 -179.061 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 34' ' ' LYS . . . . . 0.604 ' O ' HG23 ' S' ' 38' ' ' VAL . 4.6 tmtp? -85.39 -33.53 21.96 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.156 -0.618 . . . . 1.04 109.507 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 35' ' ' ALA . . . . . 0.848 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -39.17 -42.41 0.96 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.104 -0.953 . . . . 0.23999999999999999 112.368 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 36' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -66.8 -64.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.655 -0.498 . . . . 0.58999999999999997 109.655 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -45.25 -21.21 0.07 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.138 -0.483 . . . . 2.2400000000000002 112.158 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 38' ' ' VAL . . . . . 0.604 HG23 ' O ' ' S' ' 34' ' ' LYS . 97.4 t -76.2 -54.87 12.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.777 0.322 . . . . 0.45000000000000001 110.362 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 39' ' ' ARG . . . . . 0.503 HH11 ' HB2' ' S' ' 16' ' ' ALA . 4.9 tmt_? -53.03 -30.83 37.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.144 0.497 . . . . 1.24 110.279 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -78.6 -23.68 45.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.925 -0.58 . . . . 0.70999999999999996 110.791 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.48 -55.63 28.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.476 . . . . 0.28000000000000003 110.845 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -59.13 -47.47 90.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 116.064 -0.516 . . . . 0.35999999999999999 110.845 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 36.0 t -52.56 -52.13 56.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.592 -0.731 . . . . 1.24 109.775 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 44' ' ' SER . . . . . 0.412 ' O ' HD13 ' S' ' 66' ' ' LEU . 41.1 t -48.97 -39.93 28.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.151 -0.931 . . . . 1.3100000000000001 111.776 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 62.0 m -57.66 -38.35 74.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.086 0.47 . . . . 0.81000000000000005 110.771 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 46' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.93 -63.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.665 -0.698 . . . . 0.34000000000000002 109.807 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 47' ' ' GLU . . . . . 0.684 ' HB3' HD11 ' S' ' 66' ' ' LEU . 7.9 mt-10 -40.96 -20.66 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.2 -0.909 . . . . 2.4399999999999999 112.785 178.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 48' ' ' SER . . . . . 0.67 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 34.0 t -86.92 -60.13 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.697 -0.401 . . . . 1.0 111.677 -177.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 49' ' ' ILE . . . . . 0.639 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -58.79 -19.11 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.34000000000000002 111.517 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 50' ' ' LYS . . . . . 0.761 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -80.76 -61.17 2.05 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.267 -0.573 . . . . 1.5900000000000001 112.446 -178.876 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 51' ' ' ASP . . . . . 0.761 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.4 OUTLIER -87.4 -40.69 14.18 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 114.386 1.254 . . . . 1.0600000000000001 114.386 -178.451 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 52' ' ' LYS . . . . . 0.433 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 12.9 ttpp -73.59 -42.65 61.27 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.143 -0.623 . . . . 2.23 110.421 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 53' ' ' LEU . . . . . 0.541 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 3.1 mm? -80.24 -8.06 59.28 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.373 0.606 . . . . 0.66000000000000003 109.428 178.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 54' ' ' SER . . . . . 0.502 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 43.8 t -44.51 -47.6 10.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.585 -1.188 . . . . 0.85999999999999999 111.456 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.39 -24.43 1.54 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.853 -0.689 . . . . 0.52000000000000002 112.309 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.89 108.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.862 -0.685 . . . . 1.1299999999999999 112.481 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 89.3 p -81.19 126.43 31.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.697 0.284 . . . . 1.29 110.874 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 81.7 p -147.67 -25.73 0.37 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.444 -0.344 . . . . 1.95 111.688 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 59' ' ' SER . . . . . 0.511 ' HB2' ' HB3' ' S' ' 3' ' ' GLN . 67.1 m -65.5 -98.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.666 -0.243 . . . . 1.28 111.127 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 60' ' ' ARG . . . . . 0.629 ' HB2' ' HD2' ' S' ' 6' ' ' ARG . 27.0 tpt180 -88.49 23.41 2.24 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.242 0.544 . . . . 2.5600000000000001 110.405 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 61' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' S' ' 1' ' ' MET . . . -57.41 -14.94 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.686 -0.688 . . . . 1.1000000000000001 111.641 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 49.7 m -69.32 -5.45 23.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.44 -0.345 . . . . 1.6699999999999999 111.311 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 69.4 m -126.55 95.24 4.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.771 0.319 . . . . 2.3100000000000001 111.142 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -86.34 134.62 33.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.13 -0.486 . . . . 6.0099999999999998 110.547 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 65' ' ' THR . . . . . 0.603 HG21 ' HG2' ' S' ' 9' ' ' MET . 61.9 p -137.16 -63.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.449 -0.341 . . . . 1.6399999999999999 111.809 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 66' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' S' ' 47' ' ' GLU . 3.8 mt -62.29 -45.14 94.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.462 -0.335 . . . . 1.8300000000000001 110.868 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 67' ' ' GLU . . . . . 0.422 ' HB2' ' HE1' ' S' ' 1' ' ' MET . 43.5 tt0 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.309 -0.853 . . . . 3.5499999999999998 110.842 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 1' ' ' MET . . . . . 0.694 ' SD ' HD12 ' S' ' 66' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 120.862 0.363 . . . . 1.4199999999999999 111.056 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 2' ' ' ASP . . . . . 0.582 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 38.5 t70 -89.62 -111.91 0.07 Allowed 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.032 -0.531 . . . . 1.97 110.425 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 3' ' ' GLN . . . . . 0.566 ' HA ' ' HB3' ' S' ' 60' ' ' ARG . 25.3 tt0 -80.0 -14.32 58.66 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 111.788 0.292 . . . . 1.8 111.788 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 4' ' ' GLU . . . . . 0.574 ' HG3' ' HB3' ' S' ' 1' ' ' MET . 0.2 OUTLIER -73.42 -17.25 61.28 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 118.829 -1.148 . . . . 1.3700000000000001 111.62 -177.215 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 5' ' ' THR . . . . . 0.554 ' O ' ' HB3' ' S' ' 9' ' ' MET . 48.8 m -62.54 -64.12 1.02 Allowed 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 119.168 -1.013 . . . . 1.04 108.921 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 6' ' ' ARG . . . . . 0.622 ' HD2' ' HB2' ' S' ' 60' ' ' ARG . 13.2 ptm180 -47.29 -63.89 0.93 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 112.277 0.473 . . . . 1.95 112.277 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 7' ' ' ASP . . . . . 0.449 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.1 OUTLIER -68.73 -50.48 50.38 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 114.935 1.458 . . . . 1.3 114.935 -177.355 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 8' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 2.7 mp0 -83.35 -59.93 2.3 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.558 0.577 . . . . 1.3400000000000001 112.558 -177.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 9' ' ' MET . . . . . 0.581 ' HG2' HG21 ' S' ' 65' ' ' THR . 13.2 tpt -47.25 -47.15 24.87 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.589 -0.444 . . . . 1.3400000000000001 111.442 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 10' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' S' ' 6' ' ' ARG . 28.0 ttpp -69.93 -46.47 65.27 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.208 0.447 . . . . 3.1899999999999999 112.208 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 11' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 4.6 t-20 -77.34 -61.8 1.87 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.003 0.372 . . . . 1.27 112.003 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 12' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -45.27 -51.21 11.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.677 0.275 . . . . 0.20000000000000001 110.43 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.32 -55.11 37.49 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.049 -0.722 . . . . 0.17999999999999999 109.049 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 14' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -40.54 -57.0 1.95 Allowed 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.755 -0.657 . . . . 0.17000000000000001 112.157 178.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -67.83 -19.25 65.04 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 113.068 0.766 . . . . 1.28 113.068 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.3 -32.87 20.83 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.786 0.803 . . . . 0.14000000000000001 109.264 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 17' ' ' LYS . . . . . 0.682 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 31.1 mmtp -78.67 -34.02 46.58 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.231 -1.35 . . . . 1.3500000000000001 110.163 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 18' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 15.0 t70 -79.33 -27.61 42.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.871 -0.604 . . . . 2.1400000000000001 110.54 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -87.25 -67.21 0.84 Allowed 'General case' 0 C--O 1.249 1.037 0 C-N-CA 118.966 -1.094 . . . . 2.0 111.34 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 20' ' ' VAL . . . . . 0.533 ' O ' HG13 ' S' ' 24' ' ' ILE . 3.9 t -84.25 -31.78 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 CA-C-N 114.922 -1.035 . . . . 0.19 111.613 -178.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 21' ' ' HIS . . . . . 0.682 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 5.9 t60 -83.68 -30.11 27.06 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 118.956 -1.098 . . . . 1.1699999999999999 110.338 -178.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 22' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 14.0 t70 -57.29 -59.48 5.05 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 118.137 -1.425 . . . . 0.26000000000000001 107.692 178.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -38.06 75.07 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 119.607 -0.837 . . . . 0.73999999999999999 112.486 177.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 24' ' ' ILE . . . . . 0.876 HG21 ' HA ' ' S' ' 33' ' ' ASN . 39.2 mt -59.33 -65.57 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 112.499 0.555 . . . . 0.12 112.499 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 25' ' ' GLN . . . . . 0.686 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 10.6 mt-30 -36.04 -53.54 0.78 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.848 0.832 . . . . 1.1899999999999999 109.252 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 26' ' ' GLU . . . . . 0.511 ' HB2' HD12 ' S' ' 27' ' ' LEU . 11.9 mm-40 -53.34 -64.95 0.66 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.199 -1.364 . . . . 2.3900000000000001 111.234 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.678 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 4.8 mp -93.58 -59.47 2.0 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 116.091 1.886 . . . . 0.60999999999999999 116.091 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.678 ' HD2' ' HB2' ' S' ' 27' ' ' LEU . 8.4 mptt -81.38 -9.06 59.81 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 117.104 2.261 . . . . 1.3100000000000001 117.104 -172.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 29' ' ' ASP . . . . . 0.686 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 6.2 p-10 -34.71 -23.04 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.454 1.65 . . . . 2.1699999999999999 115.454 -173.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 30' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' S' ' 28' ' ' LYS . 30.7 t70 -88.91 -73.66 0.49 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.36 0.982 . . . . 2.1400000000000001 111.901 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 31' ' ' VAL . . . . . 0.59 HG23 ' H ' ' S' ' 32' ' ' GLY . 1.8 m -90.61 -58.51 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 113.382 0.882 . . . . 1.3200000000000001 113.382 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.648 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -53.23 -15.78 4.1 Favored Glycine 0 CA--C 1.521 0.466 0 CA-C-N 115.559 -0.746 . . . . 0.19 112.239 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 33' ' ' ASN . . . . . 0.876 ' HA ' HG21 ' S' ' 24' ' ' ILE . 27.7 p-10 -53.19 -3.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.431 0.9 . . . . 2.0499999999999998 113.431 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 34' ' ' LYS . . . . . 0.63 ' O ' HG23 ' S' ' 38' ' ' VAL . 22.2 tptm -85.19 -37.87 19.64 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.656 -0.418 . . . . 1.04 110.089 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 35' ' ' ALA . . . . . 0.705 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -40.38 -37.39 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.503 -0.772 . . . . 0.23999999999999999 112.297 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 36' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -70.25 -65.72 0.69 Allowed 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.612 -0.435 . . . . 0.58999999999999997 109.963 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -45.73 -20.81 0.09 Allowed 'General case' 0 C--O 1.232 0.17 0 N-CA-C 112.091 0.404 . . . . 2.2400000000000002 112.091 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 38' ' ' VAL . . . . . 0.63 HG23 ' O ' ' S' ' 34' ' ' LYS . 83.0 t -72.29 -53.46 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 0.45000000000000001 110.505 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 39' ' ' ARG . . . . . 0.432 ' HD3' ' O ' ' S' ' 39' ' ' ARG . 0.0 OUTLIER -50.69 -38.0 44.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.968 -0.56 . . . . 1.24 110.815 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -76.29 -21.46 56.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.396 -0.366 . . . . 0.70999999999999996 111.182 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.67 -56.86 16.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.28000000000000003 110.655 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 3.0 m -61.3 -46.07 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.931 -0.577 . . . . 0.35999999999999999 111.211 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 84.5 p -52.74 -51.66 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.401 -0.818 . . . . 1.24 109.66 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 44.9 t -48.83 -39.65 26.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.448 -0.797 . . . . 1.3100000000000001 111.427 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 35.0 m -57.18 -37.6 72.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.179 0.514 . . . . 0.81000000000000005 110.208 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 46' ' ' VAL . . . . . 0.415 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 42.6 t -76.11 -63.29 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.408 -0.814 . . . . 0.34000000000000002 109.609 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 47' ' ' GLU . . . . . 0.711 ' HB3' HD11 ' S' ' 66' ' ' LEU . 1.0 OUTLIER -41.14 -20.96 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.383 -0.826 . . . . 2.4399999999999999 112.626 178.273 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 48' ' ' SER . . . . . 0.677 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 51.2 m -86.58 -60.04 2.1 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.656 -0.418 . . . . 1.0 111.485 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 49' ' ' ILE . . . . . 0.631 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -58.96 -18.51 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.133 -0.485 . . . . 0.34000000000000002 111.557 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 50' ' ' LYS . . . . . 0.775 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 11.8 ptpt -81.85 -61.06 2.03 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.6 0.593 . . . . 1.5900000000000001 112.6 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 51' ' ' ASP . . . . . 0.775 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.3 OUTLIER -86.86 -42.29 13.35 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 114.478 1.288 . . . . 1.0600000000000001 114.478 -177.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 52' ' ' LYS . . . . . 0.481 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 4.6 tmmm? -73.97 -38.38 64.19 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.341 -0.543 . . . . 2.23 110.265 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 53' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.5 mm? -85.43 -7.78 58.74 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.311 0.577 . . . . 0.66000000000000003 109.658 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 54' ' ' SER . . . . . 0.522 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 41.1 t -43.51 -39.76 3.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.659 -1.155 . . . . 0.85999999999999999 111.592 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.05 -30.12 6.73 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.798 -0.715 . . . . 0.52000000000000002 112.533 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.86 54.45 0.68 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.719 . . . . 1.1299999999999999 112.483 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 57' ' ' SER . . . . . 0.472 ' HB2' ' HB2' ' S' ' 2' ' ' ASP . 77.1 p -58.32 103.65 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.822 0.344 . . . . 1.29 111.0 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 68.2 m -155.33 74.88 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 1.95 111.148 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 59' ' ' SER . . . . . 0.543 ' HB2' ' HB2' ' S' ' 3' ' ' GLN . 70.8 m -155.06 -90.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 1.28 110.872 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 60' ' ' ARG . . . . . 0.622 ' HB2' ' HD2' ' S' ' 6' ' ' ARG . 26.5 tpt180 -95.13 23.3 5.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.419 0.628 . . . . 2.5600000000000001 110.302 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.25 -13.84 3.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.719 -0.673 . . . . 1.1000000000000001 111.762 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -68.04 -6.1 20.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.417 -0.356 . . . . 1.6699999999999999 111.391 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 66.5 p -131.8 93.06 3.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.905 0.383 . . . . 2.3100000000000001 111.037 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -85.32 136.16 33.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.011 -0.541 . . . . 6.0099999999999998 110.689 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 65' ' ' THR . . . . . 0.581 HG21 ' HG2' ' S' ' 9' ' ' MET . 49.9 p -138.79 -60.06 0.6 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.425 -0.352 . . . . 1.6399999999999999 111.679 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 66' ' ' LEU . . . . . 0.711 HD11 ' HB3' ' S' ' 47' ' ' GLU . 5.4 mt -59.84 -50.8 72.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 1.8300000000000001 111.153 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.276 -0.869 . . . . 3.5499999999999998 111.006 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' S' S ' 1' ' ' MET . . . . . 0.656 ' HG2' HD22 ' S' ' 66' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 121.02 0.438 . . . . 1.4199999999999999 111.472 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 2' ' ' ASP . . . . . 0.506 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 35.8 t70 -104.77 -119.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.195 0.813 . . . . 1.97 113.195 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 3' ' ' GLN . . . . . 0.703 ' HA ' ' HB3' ' S' ' 60' ' ' ARG . 12.8 pt20 -80.98 -12.48 59.37 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 113.243 0.831 . . . . 1.8 113.243 -176.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 4' ' ' GLU . . . . . 0.67 ' HG3' ' O ' ' S' ' 47' ' ' GLU . 0.0 OUTLIER -61.41 -21.62 64.27 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 118.837 -1.145 . . . . 1.3700000000000001 111.209 -177.16 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 5' ' ' THR . . . . . 0.502 ' O ' ' HB3' ' S' ' 9' ' ' MET . 90.9 m -61.15 -63.04 1.42 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 119.558 -0.857 . . . . 1.04 108.967 179.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 6' ' ' ARG . . . . . 0.652 ' HD3' ' HE ' ' S' ' 60' ' ' ARG . 43.1 mtm180 -41.83 -65.85 0.41 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.703 -0.68 . . . . 1.95 112.522 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.78 -47.08 27.29 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.868 1.433 . . . . 1.3 114.868 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 8' ' ' GLN . . . . . 0.525 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 23.7 mm-40 -78.29 -61.31 2.04 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.252 -0.579 . . . . 1.3400000000000001 111.566 -177.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 9' ' ' MET . . . . . 0.502 ' HB3' ' O ' ' S' ' 5' ' ' THR . 0.7 OUTLIER -46.88 -50.34 18.82 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.501 -0.48 . . . . 1.3400000000000001 111.088 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 10' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -62.94 -44.24 96.62 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.272 0.471 . . . . 3.1899999999999999 112.272 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 11' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -83.27 -61.94 1.72 Allowed 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.537 0.569 . . . . 1.27 112.537 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.5 -52.97 7.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.754 0.311 . . . . 0.20000000000000001 110.682 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.97 -55.83 29.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.08 -0.711 . . . . 0.17999999999999999 109.08 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.77 -57.57 1.89 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.602 -0.726 . . . . 0.17000000000000001 112.258 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.81 -19.4 65.87 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.135 0.791 . . . . 1.28 113.135 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 16' ' ' ALA . . . . . 0.43 ' HB2' HH11 ' S' ' 39' ' ' ARG . . . -86.07 -34.86 20.58 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.663 0.744 . . . . 0.14000000000000001 109.392 -177.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 17' ' ' LYS . . . . . 0.669 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 71.4 mmtt -78.9 -32.55 45.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.489 -1.232 . . . . 1.3500000000000001 110.354 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 18' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 2.5 m-20 -79.35 -28.36 42.0 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.491 -0.484 . . . . 2.1400000000000001 110.343 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -87.45 -65.79 0.98 Allowed 'General case' 0 C--O 1.249 1.068 0 C-N-CA 119.277 -0.969 . . . . 2.0 111.175 -177.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 20' ' ' VAL . . . . . 0.524 ' O ' HG13 ' S' ' 24' ' ' ILE . 2.1 t -83.96 -32.07 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 CA-C-N 114.907 -1.042 . . . . 0.19 111.841 -177.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 21' ' ' HIS . . . . . 0.669 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 2.1 t-160 -83.0 -31.32 27.53 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 118.738 -1.185 . . . . 1.1699999999999999 109.968 -178.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 22' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 28.9 t70 -56.7 -60.16 3.95 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 118.13 -1.428 . . . . 0.26000000000000001 108.027 178.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 23' ' ' LYS . . . . . 0.423 ' HD3' ' HD3' ' S' ' 28' ' ' LYS . 0.0 OUTLIER -58.79 -38.09 77.76 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 119.52 -0.872 . . . . 0.73999999999999999 113.103 177.2 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 24' ' ' ILE . . . . . 0.856 HG21 ' HA ' ' S' ' 33' ' ' ASN . 54.7 mt -61.37 -66.0 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 C-N-CA 120.395 -0.522 . . . . 0.12 112.397 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 25' ' ' GLN . . . . . 0.64 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 15.2 mt-30 -35.96 -55.26 0.75 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.886 0.85 . . . . 1.1899999999999999 109.488 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -53.47 -64.69 0.74 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.197 -1.365 . . . . 2.3900000000000001 111.238 178.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.613 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 16.1 mt -93.16 -59.97 1.91 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 116.289 1.959 . . . . 0.60999999999999999 116.289 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.707 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 1.9 mptp? -81.39 -8.3 59.71 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 116.895 2.184 . . . . 1.3100000000000001 116.895 -172.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 29' ' ' ASP . . . . . 0.64 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 6.6 p-10 -34.35 -22.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.449 1.648 . . . . 2.1699999999999999 115.449 -173.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 30' ' ' ASP . . . . . 0.542 ' N ' ' O ' ' S' ' 28' ' ' LYS . 14.6 t70 -88.47 -74.1 0.47 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 119.604 1.093 . . . . 2.1400000000000001 111.879 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 31' ' ' VAL . . . . . 0.687 HG13 ' H ' ' S' ' 32' ' ' GLY . 6.5 p -89.32 -58.59 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.441 0.904 . . . . 1.3200000000000001 113.441 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.707 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -51.35 -16.13 2.11 Favored Glycine 0 CA--C 1.522 0.519 0 CA-C-N 115.055 -0.975 . . . . 0.19 112.465 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 33' ' ' ASN . . . . . 0.856 ' HA ' HG21 ' S' ' 24' ' ' ILE . 19.9 t-20 -54.4 -4.59 0.06 Allowed 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.958 0.725 . . . . 2.0499999999999998 112.958 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 34' ' ' LYS . . . . . 0.636 ' O ' HG23 ' S' ' 38' ' ' VAL . 22.3 tptm -86.26 -21.32 27.45 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.606 -0.437 . . . . 1.04 111.07 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 35' ' ' ALA . . . . . 0.619 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -62.62 -35.19 78.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.18 -0.463 . . . . 0.23999999999999999 111.603 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 36' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -80.99 -21.18 40.47 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.365 0.602 . . . . 0.58999999999999997 110.06 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 37' ' ' GLU . . . . . 0.538 ' HB2' ' HD2' ' S' ' 34' ' ' LYS . 15.8 mm-40 -84.3 -30.0 25.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.148 -0.933 . . . . 2.2400000000000002 109.544 -178.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 38' ' ' VAL . . . . . 0.636 HG23 ' O ' ' S' ' 34' ' ' LYS . 80.3 t -76.71 -46.03 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 115.44 -0.8 . . . . 0.45000000000000001 109.836 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 39' ' ' ARG . . . . . 0.43 HH11 ' HB2' ' S' ' 16' ' ' ALA . 4.5 tmt_? -56.08 -36.87 68.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.035 -0.529 . . . . 1.24 110.515 179.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -75.24 -24.03 57.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.983 0.421 . . . . 0.70999999999999996 110.1 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 41' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' S' ' 38' ' ' VAL . . . -63.06 -50.58 70.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.893 -0.594 . . . . 0.28000000000000003 111.46 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -62.85 -46.24 96.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 121.145 0.497 . . . . 0.35999999999999999 111.046 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 71.0 m -52.67 -52.17 57.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.72 -0.673 . . . . 1.24 109.64 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 66.4 m -48.73 -43.22 37.25 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.213 -0.903 . . . . 1.3100000000000001 112.293 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 24.7 p -56.85 -35.08 68.45 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.965 0.412 . . . . 0.81000000000000005 110.764 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 46' ' ' VAL . . . . . 0.454 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 60.4 t -75.09 -63.33 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.849 -0.614 . . . . 0.34000000000000002 109.471 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 47' ' ' GLU . . . . . 0.676 ' HB3' HD21 ' S' ' 66' ' ' LEU . 31.2 mt-10 -40.36 -22.52 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.177 -0.92 . . . . 2.4399999999999999 112.311 178.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 48' ' ' SER . . . . . 0.615 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 71.2 m -85.79 -59.61 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.581 -0.448 . . . . 1.0 111.748 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 49' ' ' ILE . . . . . 0.663 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -62.11 -19.07 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.894 0.378 . . . . 0.34000000000000002 111.662 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 50' ' ' LYS . . . . . 0.77 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -79.79 -61.19 2.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.669 0.618 . . . . 1.5900000000000001 112.669 -178.458 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 51' ' ' ASP . . . . . 0.77 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.3 OUTLIER -86.9 -37.71 17.4 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 115.128 1.529 . . . . 1.0600000000000001 115.128 -178.061 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 52' ' ' LYS . . . . . 0.606 ' HB2' ' HA ' ' S' ' 1' ' ' MET . 20.2 ttmm -79.13 -36.55 40.39 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.003 -0.679 . . . . 2.23 110.849 -178.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 53' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.1 mm? -86.1 -7.58 58.49 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.709 -0.849 . . . . 0.66000000000000003 108.709 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 54' ' ' SER . . . . . 0.511 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 33.9 t -43.07 -43.74 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.194 -1.366 . . . . 0.85999999999999999 111.57 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.46 -12.52 12.33 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.52000000000000002 112.535 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -117.35 -70.7 0.41 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.816 -0.707 . . . . 1.1299999999999999 112.475 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 57' ' ' SER . . . . . 0.422 ' HA ' ' CG ' ' S' ' 2' ' ' ASP . 29.7 t 54.79 86.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.79 0.329 . . . . 1.29 111.031 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 47.8 t -145.85 -21.81 0.46 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 1.95 111.381 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 59' ' ' SER . . . . . 0.431 ' HB3' ' HB3' ' S' ' 3' ' ' GLN . 35.8 t -67.12 -91.07 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.652 0.263 . . . . 1.28 111.123 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 60' ' ' ARG . . . . . 0.703 ' HB3' ' HA ' ' S' ' 3' ' ' GLN . 4.7 tpp180 -94.18 43.82 1.11 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.258 0.551 . . . . 2.5600000000000001 110.516 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.34 -7.94 54.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.951 -0.568 . . . . 1.1000000000000001 111.518 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 54.6 m -89.34 -1.93 58.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 1.6699999999999999 111.508 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 63' ' ' SER . . . . . 0.445 ' HB3' ' HG3' ' S' ' 60' ' ' ARG . 37.4 t -101.88 141.54 34.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 2.3100000000000001 111.186 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -132.01 103.06 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.037 -0.529 . . . . 6.0099999999999998 110.506 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 65' ' ' THR . . . . . 0.465 ' OG1' ' HG3' ' S' ' 9' ' ' MET . 66.4 p -130.32 -52.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 1.6399999999999999 111.627 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 66' ' ' LEU . . . . . 0.676 HD21 ' HB3' ' S' ' 47' ' ' GLU . 8.5 mp -49.82 -59.25 4.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.214 -0.448 . . . . 1.8300000000000001 110.566 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.268 -0.872 . . . . 3.5499999999999998 110.839 179.729 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' S' S ' 1' ' ' MET . . . . . 0.69 ' HB2' HD22 ' S' ' 66' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.742 0.306 . . . . 1.4199999999999999 111.147 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 2' ' ' ASP . . . . . 0.55 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 2.1 m-20 -89.32 -109.81 0.08 Allowed 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.134 -0.485 . . . . 1.97 110.21 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 3' ' ' GLN . . . . . 0.578 ' HB2' ' HB2' ' S' ' 59' ' ' SER . 50.0 tt0 -79.8 -14.6 58.57 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 120.851 0.358 . . . . 1.8 111.22 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 4' ' ' GLU . . . . . 0.637 ' HG3' ' HB3' ' S' ' 1' ' ' MET . 0.1 OUTLIER -75.43 -16.17 60.37 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 118.853 -1.139 . . . . 1.3700000000000001 111.668 -177.248 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 5' ' ' THR . . . . . 0.526 ' O ' ' HB3' ' S' ' 9' ' ' MET . 58.5 m -61.49 -63.58 1.23 Allowed 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 118.939 -1.104 . . . . 1.04 108.583 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 6' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' S' ' 10' ' ' LYS . 5.4 ptm180 -46.68 -64.88 0.66 Allowed 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.743 -0.662 . . . . 1.95 112.013 178.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 7' ' ' ASP . . . . . 0.415 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.1 OUTLIER -68.99 -51.24 41.44 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 114.987 1.477 . . . . 1.3 114.987 -177.468 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 8' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' S' ' 12' ' ' ALA . 73.3 mm-40 -81.95 -61.62 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.528 0.566 . . . . 1.3400000000000001 112.528 -176.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 9' ' ' MET . . . . . 0.526 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.4 tpt -46.27 -49.52 17.26 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.615 -0.434 . . . . 1.3400000000000001 111.526 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 10' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 32.6 mmmt -65.89 -44.15 86.16 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.319 0.488 . . . . 3.1899999999999999 112.319 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 11' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 51.3 t30 -83.47 -61.97 1.7 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.665 0.617 . . . . 1.27 112.665 -178.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 12' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.74 -53.8 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.722 0.296 . . . . 0.20000000000000001 110.718 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 13' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' S' ' 9' ' ' MET . . . -55.09 -54.48 42.53 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.157 -0.683 . . . . 0.17999999999999999 109.157 178.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 14' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -41.24 -54.93 2.83 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.671 -0.695 . . . . 0.17000000000000001 112.475 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.62 -19.27 64.43 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 113.131 0.789 . . . . 1.28 113.131 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 16' ' ' ALA . . . . . 0.408 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -86.2 -30.91 22.05 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.738 0.78 . . . . 0.14000000000000001 108.923 -178.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 17' ' ' LYS . . . . . 0.766 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 69.0 mmtt -78.47 -33.62 48.21 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 114.242 -1.344 . . . . 1.3500000000000001 109.97 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 18' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 17.6 t70 -79.35 -27.48 41.99 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.874 -0.603 . . . . 2.1400000000000001 110.229 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -87.4 -66.85 0.87 Allowed 'General case' 0 C--O 1.248 1.021 0 C-N-CA 119.426 -0.91 . . . . 2.0 111.564 -176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 20' ' ' VAL . . . . . 0.546 ' O ' HG13 ' S' ' 24' ' ' ILE . 2.6 t -84.68 -29.55 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 115.146 -0.934 . . . . 0.19 111.803 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 21' ' ' HIS . . . . . 0.766 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 0.4 OUTLIER -83.2 -31.66 26.96 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 118.906 -1.118 . . . . 1.1699999999999999 109.625 -178.736 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 22' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 15.9 t70 -55.62 -60.52 3.32 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 118.217 -1.393 . . . . 0.26000000000000001 107.472 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -54.53 -41.58 69.86 Favored 'General case' 0 C--N 1.344 0.334 0 N-CA-C 113.036 0.754 . . . . 0.73999999999999999 113.036 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 24' ' ' ILE . . . . . 0.838 HG21 ' HA ' ' S' ' 33' ' ' ASN . 69.0 mt -61.8 -66.29 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 113.146 0.795 . . . . 0.12 113.146 -177.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 25' ' ' GLN . . . . . 0.568 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 32.7 mt-30 -35.77 -56.44 0.69 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.889 0.852 . . . . 1.1899999999999999 109.537 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -52.85 -64.79 0.7 Allowed 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.1 -1.409 . . . . 2.3900000000000001 111.213 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.585 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 15.4 mt -93.39 -60.35 1.8 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 116.606 2.076 . . . . 0.60999999999999999 116.606 -178.055 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.667 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.17 -8.48 59.65 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 117.121 2.267 . . . . 1.3100000000000001 117.121 -172.395 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 29' ' ' ASP . . . . . 0.568 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 18.2 t70 -34.65 -21.37 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.177 1.547 . . . . 2.1699999999999999 115.177 -173.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 30' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' S' ' 28' ' ' LYS . 8.8 m-20 -88.88 -73.38 0.5 Allowed 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.4 1.0 . . . . 2.1400000000000001 111.771 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 31' ' ' VAL . . . . . 0.689 HG13 ' H ' ' S' ' 32' ' ' GLY . 5.9 p -91.44 -59.23 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 113.946 1.091 . . . . 1.3200000000000001 113.946 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.689 ' H ' HG13 ' S' ' 31' ' ' VAL . . . -50.86 -15.91 1.56 Allowed Glycine 0 CA--C 1.523 0.58 0 CA-C-N 115.309 -0.86 . . . . 0.19 112.594 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 33' ' ' ASN . . . . . 0.838 ' HA ' HG21 ' S' ' 24' ' ' ILE . 3.3 t30 -53.67 -3.53 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.255 0.835 . . . . 2.0499999999999998 113.255 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 34' ' ' LYS . . . . . 0.55 ' O ' HG23 ' S' ' 38' ' ' VAL . 4.8 tmtp? -85.49 -21.42 28.67 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.599 -0.44 . . . . 1.04 111.24 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 35' ' ' ALA . . . . . 0.528 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -63.65 -33.56 75.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.275 -0.42 . . . . 0.23999999999999999 111.942 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 36' ' ' ALA . . . . . 0.52 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -80.71 -21.54 41.13 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.477 0.656 . . . . 0.58999999999999997 109.929 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 37' ' ' GLU . . . . . 0.453 ' HB2' ' HD3' ' S' ' 34' ' ' LYS . 45.3 mt-10 -83.76 -29.42 27.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.128 -0.942 . . . . 2.2400000000000002 109.686 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 38' ' ' VAL . . . . . 0.55 HG23 ' O ' ' S' ' 34' ' ' LYS . 69.5 t -74.46 -42.22 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 109.0 -0.741 . . . . 0.45000000000000001 109.0 178.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 39' ' ' ARG . . . . . 0.408 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 2.8 tmt_? -50.29 -49.0 54.76 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.673 -0.694 . . . . 1.24 109.867 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.86 -22.04 62.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.416 . . . . 0.70999999999999996 111.368 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 41' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' S' ' 38' ' ' VAL . . . -63.74 -57.34 10.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.579 -0.282 . . . . 0.28000000000000003 111.495 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 m -57.89 -46.43 87.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.181 0.515 . . . . 0.35999999999999999 111.079 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 49.8 m -52.06 -51.34 58.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.401 -0.818 . . . . 1.24 109.741 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -47.71 -39.19 16.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.324 -0.853 . . . . 1.3100000000000001 111.541 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 62.9 m -59.62 -40.17 86.66 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.925 0.393 . . . . 0.81000000000000005 110.781 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 46' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 63.3 t -75.15 -61.31 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.838 -0.619 . . . . 0.34000000000000002 109.545 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 47' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 16.4 mt-10 -39.94 -22.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.856 -1.066 . . . . 2.4399999999999999 112.289 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 48' ' ' SER . . . . . 0.668 ' OG ' HD23 ' S' ' 66' ' ' LEU . 43.2 m -87.01 -60.24 2.03 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.663 -0.415 . . . . 1.0 110.942 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 49' ' ' ILE . . . . . 0.611 ' HA ' ' HB2' ' S' ' 53' ' ' LEU . 2.3 pp -58.65 -19.96 15.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.77 0.319 . . . . 0.34000000000000002 111.629 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 50' ' ' LYS . . . . . 0.785 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -80.6 -61.37 1.99 Allowed 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.333 -0.547 . . . . 1.5900000000000001 111.822 -179.197 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 51' ' ' ASP . . . . . 0.785 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.2 OUTLIER -86.38 -39.12 16.72 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 113.279 0.844 . . . . 1.0600000000000001 113.279 -179.073 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 52' ' ' LYS . . . . . 0.648 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 5.6 tmmm? -71.42 -45.1 63.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.698 0.285 . . . . 2.23 110.456 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 53' ' ' LEU . . . . . 0.611 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 0.3 OUTLIER -82.62 -5.86 59.04 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.269 0.557 . . . . 0.66000000000000003 109.578 178.758 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 54' ' ' SER . . . . . 0.499 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 35.8 t -45.11 -32.1 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.815 -1.084 . . . . 0.85999999999999999 111.798 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.6 -46.84 1.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.962 -0.637 . . . . 0.52000000000000002 111.658 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -107.76 56.96 0.46 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.943 -0.646 . . . . 1.1299999999999999 111.778 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 51.7 p -48.48 107.85 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.364 . . . . 1.29 111.318 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 70.1 m -158.18 -152.21 0.33 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.98 -0.554 . . . . 1.95 110.994 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 59' ' ' SER . . . . . 0.578 ' HB2' ' HB2' ' S' ' 3' ' ' GLN . 68.5 m 65.34 -107.91 0.15 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.313 -0.403 . . . . 1.28 111.14 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 60' ' ' ARG . . . . . 0.55 ' HB3' ' O ' ' S' ' 2' ' ' ASP . 0.1 OUTLIER -82.29 38.12 0.53 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.85 0.357 . . . . 2.5600000000000001 110.471 179.756 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.47 -19.94 58.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 1.1000000000000001 111.487 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 79.9 p -69.05 -3.74 14.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.442 -0.345 . . . . 1.6699999999999999 110.934 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 63' ' ' SER . . . . . 0.495 ' HB2' ' HD2' ' S' ' 60' ' ' ARG . 29.2 t -77.38 174.71 10.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 2.3100000000000001 111.127 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -163.56 52.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 6.0099999999999998 110.542 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 65' ' ' THR . . . . . . . . . . . . . 60.7 p -103.24 -63.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 1.6399999999999999 111.507 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 66' ' ' LEU . . . . . 0.69 HD22 ' HB2' ' S' ' 1' ' ' MET . 11.1 mp -67.09 -37.5 84.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.42 -0.355 . . . . 1.8300000000000001 110.947 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.279 -0.867 . . . . 3.5499999999999998 110.803 179.665 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' S' S ' 1' ' ' MET . . . . . 0.572 ' SD ' ' HA ' ' S' ' 48' ' ' SER . 1.3 mpp? . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.803 0.335 . . . . 1.4199999999999999 111.343 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 2' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 37.6 t70 -107.64 -109.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.917 0.71 . . . . 1.97 112.917 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 3' ' ' GLN . . . . . 0.627 ' HA ' ' HB3' ' S' ' 60' ' ' ARG . 49.4 tt0 -79.68 -13.75 59.26 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 112.545 0.572 . . . . 1.8 112.545 -177.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 4' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 1.3 pp20? -67.46 -25.85 66.09 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 119.129 -1.028 . . . . 1.3700000000000001 112.252 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 5' ' ' THR . . . . . 0.663 ' HB ' HG22 ' S' ' 65' ' ' THR . 0.0 OUTLIER -59.7 -63.69 1.21 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 119.171 -1.012 . . . . 1.04 110.261 -179.737 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 6' ' ' ARG . . . . . 0.607 ' HD2' ' HD2' ' S' ' 60' ' ' ARG . 12.2 ptm180 -45.27 -65.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.932 0.715 . . . . 1.95 112.932 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 7' ' ' ASP . . . . . 0.492 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.9 OUTLIER -71.52 -46.37 59.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.822 1.416 . . . . 1.3 114.822 -177.051 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 8' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 80.2 mm-40 -83.39 -60.41 2.14 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.331 0.493 . . . . 1.3400000000000001 112.331 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 9' ' ' MET . . . . . 0.657 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 0.0 OUTLIER -48.44 -49.82 33.7 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.776 -0.37 . . . . 1.3400000000000001 111.59 -178.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 10' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 3.4 mmmp? -67.49 -42.37 83.01 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.429 0.529 . . . . 3.1899999999999999 112.429 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 11' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 63.9 t30 -83.23 -61.56 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.385 0.513 . . . . 1.27 112.385 -178.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.81 -53.22 7.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.849 0.357 . . . . 0.20000000000000001 110.59 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.87 -53.68 49.13 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.112 -0.699 . . . . 0.17999999999999999 109.112 178.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 14' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -41.07 -55.61 2.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.627 -0.715 . . . . 0.17000000000000001 112.214 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -66.45 -19.01 65.68 Favored 'General case' 0 N--CA 1.461 0.08 0 N-CA-C 113.074 0.768 . . . . 1.28 113.074 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 16' ' ' ALA . . . . . 0.59 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -85.76 -31.8 22.19 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.636 0.732 . . . . 0.14000000000000001 109.025 -177.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 17' ' ' LYS . . . . . 0.659 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 41.8 mmtm -78.57 -33.47 47.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.512 -1.222 . . . . 1.3500000000000001 110.057 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 18' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 12.1 m-20 -77.75 -29.23 50.98 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.073 -0.512 . . . . 2.1400000000000001 110.32 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -87.23 -66.2 0.93 Allowed 'General case' 0 C--O 1.248 1.012 0 C-N-CA 119.373 -0.931 . . . . 2.0 111.411 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 20' ' ' VAL . . . . . 0.564 ' O ' HG13 ' S' ' 24' ' ' ILE . 3.5 t -84.14 -31.03 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-N 115.154 -0.93 . . . . 0.19 111.94 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 21' ' ' HIS . . . . . 0.659 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 2.0 t-80 -83.03 -30.91 27.71 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 118.854 -1.138 . . . . 1.1699999999999999 110.049 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 22' ' ' ASP . . . . . 0.474 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 14.7 t70 -57.41 -60.59 3.41 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 118.164 -1.415 . . . . 0.26000000000000001 107.722 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -53.3 -39.91 64.37 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 119.759 -0.776 . . . . 0.73999999999999999 112.733 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 24' ' ' ILE . . . . . 0.929 HG21 ' HA ' ' S' ' 33' ' ' ASN . 62.2 mt -62.73 -66.59 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 113.357 0.873 . . . . 0.12 113.357 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 25' ' ' GLN . . . . . 0.618 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 39.3 mt-30 -35.86 -55.18 0.74 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.957 0.884 . . . . 1.1899999999999999 109.362 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -53.3 -64.63 0.76 Allowed 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 113.971 -1.468 . . . . 2.3900000000000001 111.205 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.551 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 12.3 mt -93.53 -60.13 1.85 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.579 2.066 . . . . 0.60999999999999999 116.579 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.729 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.86 -7.96 59.62 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 117.089 2.255 . . . . 1.3100000000000001 117.089 -172.504 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 29' ' ' ASP . . . . . 0.618 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 20.4 t70 -34.64 -22.3 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.598 1.703 . . . . 2.1699999999999999 115.598 -173.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 30' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' S' ' 28' ' ' LYS . 17.1 t70 -88.59 -74.02 0.48 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.417 1.008 . . . . 2.1400000000000001 112.058 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 31' ' ' VAL . . . . . 0.699 HG13 ' H ' ' S' ' 32' ' ' GLY . 5.1 p -88.17 -58.75 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 113.462 0.912 . . . . 1.3200000000000001 113.462 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.729 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -54.47 -15.99 6.48 Favored Glycine 0 C--N 1.314 -0.678 0 CA-C-N 114.948 -1.024 . . . . 0.19 112.356 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 33' ' ' ASN . . . . . 0.929 ' HA ' HG21 ' S' ' 24' ' ' ILE . 28.4 p-10 -53.66 -4.49 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.89 1.07 . . . . 2.0499999999999998 113.89 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 34' ' ' LYS . . . . . 0.54 ' O ' HG23 ' S' ' 38' ' ' VAL . 1.4 tmtp? -85.11 -39.77 17.54 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.238 -0.585 . . . . 1.04 109.552 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 35' ' ' ALA . . . . . 0.609 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -39.68 -36.6 0.43 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.435 -0.802 . . . . 0.23999999999999999 112.319 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 36' ' ' ALA . . . . . 0.5 ' HA ' ' HB ' ' S' ' 20' ' ' VAL . . . -66.93 -64.73 0.79 Allowed 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.992 -0.744 . . . . 0.58999999999999997 108.992 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -45.1 -20.6 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.873 -0.603 . . . . 2.2400000000000002 111.926 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 38' ' ' VAL . . . . . 0.54 HG23 ' O ' ' S' ' 34' ' ' LYS . 65.5 t -71.36 -52.34 27.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 110.046 -0.353 . . . . 0.45000000000000001 110.046 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 39' ' ' ARG . . . . . 0.59 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 4.0 tmt_? -50.2 -33.94 21.07 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.989 -0.551 . . . . 1.24 110.367 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.38 -26.61 55.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.156 -0.474 . . . . 0.70999999999999996 111.29 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.09 -52.9 63.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 0.28000000000000003 111.228 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 3.5 m -64.83 -48.08 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.029 0.442 . . . . 0.35999999999999999 111.492 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -53.55 -54.91 30.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.683 -0.69 . . . . 1.24 110.438 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 61.2 m -51.06 -37.51 45.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.454 -0.794 . . . . 1.3100000000000001 111.535 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 52.5 m -57.7 -37.44 73.49 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.194 0.521 . . . . 0.81000000000000005 110.24 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 46' ' ' VAL . . . . . 0.479 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 60.5 t -76.1 -64.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.303 -0.862 . . . . 0.34000000000000002 109.712 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 47' ' ' GLU . . . . . 0.614 ' HB3' HD11 ' S' ' 66' ' ' LEU . 2.6 mp0 -41.25 -20.87 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.271 -0.877 . . . . 2.4399999999999999 112.563 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 48' ' ' SER . . . . . 0.572 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 46.7 t -86.16 -59.66 2.23 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.841 -0.344 . . . . 1.0 111.455 -177.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 49' ' ' ILE . . . . . 0.646 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -62.93 -18.72 21.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.13 -0.487 . . . . 0.34000000000000002 111.831 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 50' ' ' LYS . . . . . 0.782 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 6.0 ptpt -82.02 -60.34 2.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.983 0.734 . . . . 1.5900000000000001 112.983 -178.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 51' ' ' ASP . . . . . 0.782 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.6 OUTLIER -86.53 -39.59 16.07 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 114.831 1.419 . . . . 1.0600000000000001 114.831 -177.508 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 52' ' ' LYS . . . . . 0.542 ' HB2' ' HA ' ' S' ' 1' ' ' MET . 5.9 tmmm? -79.59 -39.44 31.67 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.06 -0.656 . . . . 2.23 110.524 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 53' ' ' LEU . . . . . 0.559 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 2.5 mm? -81.52 -7.57 59.6 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 108.774 -0.824 . . . . 0.66000000000000003 108.774 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 54' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' S' ' 50' ' ' LYS . 26.5 p -43.08 -37.19 1.89 Allowed 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.258 -1.337 . . . . 0.85999999999999999 111.658 -178.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.41 -6.22 33.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.83 -0.7 . . . . 0.52000000000000002 112.554 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.11 -59.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 1.1299999999999999 112.602 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 28.5 t 56.24 86.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.833 0.349 . . . . 1.29 110.903 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 48.0 t -147.86 81.91 1.5 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.211 -0.449 . . . . 1.95 111.325 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 59' ' ' SER . . . . . 0.621 ' HB3' ' HB2' ' S' ' 3' ' ' GLN . 36.1 t -171.0 -84.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.158 -0.474 . . . . 1.28 110.813 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 60' ' ' ARG . . . . . 0.627 ' HB3' ' HA ' ' S' ' 3' ' ' GLN . 6.2 tpm_? -103.47 23.57 12.38 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.364 0.602 . . . . 2.5600000000000001 110.388 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.97 11.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.829 -0.623 . . . . 1.1000000000000001 111.652 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 62' ' ' SER . . . . . 0.42 ' H ' ' C ' ' S' ' 60' ' ' ARG . 47.7 t -56.66 -66.17 0.49 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.787 0.327 . . . . 1.6699999999999999 111.141 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 80.3 p -172.8 -176.76 1.52 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.171 -0.468 . . . . 2.3100000000000001 110.872 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 44.9 t80 57.02 90.8 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.03 -0.532 . . . . 6.0099999999999998 111.091 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 65' ' ' THR . . . . . 0.663 HG22 ' HB ' ' S' ' 5' ' ' THR . 24.4 p -141.6 -168.86 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.885 0.374 . . . . 1.6399999999999999 111.386 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 66' ' ' LEU . . . . . 0.614 HD11 ' HB3' ' S' ' 47' ' ' GLU . 0.9 OUTLIER -56.73 -31.04 64.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.039 -0.528 . . . . 1.8300000000000001 110.375 179.711 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.192 -0.908 . . . . 3.5499999999999998 110.952 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' S' S ' 1' ' ' MET . . . . . 0.661 ' HB2' ' HB3' ' S' ' 66' ' ' LEU . 5.0 mpp? . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.979 0.419 . . . . 1.4199999999999999 111.336 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 2' ' ' ASP . . . . . 0.58 ' HB3' ' N ' ' S' ' 60' ' ' ARG . 6.3 m-20 -152.22 -132.92 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.756 -0.656 . . . . 1.97 112.587 -178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 3' ' ' GLN . . . . . 0.596 ' H ' ' H ' ' S' ' 60' ' ' ARG . 53.8 tt0 -32.63 -29.59 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.98 1.844 . . . . 1.8 115.98 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 4' ' ' GLU . . . . . 0.654 ' HB2' ' HD2' ' S' ' 50' ' ' LYS . 0.4 OUTLIER -60.6 -33.01 72.12 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 118.214 -1.394 . . . . 1.3700000000000001 109.698 -179.474 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 5' ' ' THR . . . . . 0.499 ' O ' ' HB3' ' S' ' 9' ' ' MET . 59.4 m -51.7 -60.7 2.87 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.684 -0.689 . . . . 1.04 109.48 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 6' ' ' ARG . . . . . 0.563 ' HD2' ' HD3' ' S' ' 60' ' ' ARG . 51.6 mtp180 -41.07 -65.93 0.38 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.843 0.683 . . . . 1.95 112.843 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -74.2 -47.53 34.9 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.041 1.126 . . . . 1.3 114.041 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 8' ' ' GLN . . . . . 0.447 ' HG3' ' HE3' ' S' ' 50' ' ' LYS . 26.0 mm-40 -80.32 -64.27 1.23 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.184 0.438 . . . . 1.3400000000000001 112.184 -177.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 9' ' ' MET . . . . . 0.499 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.2 tpt -48.16 -45.9 33.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.301 0.482 . . . . 1.3400000000000001 112.301 -178.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 10' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 56.8 mtpt -71.56 -42.94 67.2 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.449 -0.5 . . . . 3.1899999999999999 112.237 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 11' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 57.8 t30 -78.49 -62.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.992 0.367 . . . . 1.27 111.992 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.77 -53.77 9.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.605 0.24 . . . . 0.20000000000000001 110.551 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.22 -52.6 58.4 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.878 -0.786 . . . . 0.17999999999999999 108.878 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 14' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -44.4 -49.33 9.73 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.562 -0.744 . . . . 0.17000000000000001 111.902 177.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 15' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' S' ' 11' ' ' ASN . 17.4 mt-10 -67.95 -20.31 65.05 Favored 'General case' 0 C--N 1.337 0.064 0 N-CA-C 112.514 0.561 . . . . 1.28 112.514 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 16' ' ' ALA . . . . . 0.591 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -86.76 -31.05 21.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.702 0.763 . . . . 0.14000000000000001 109.318 -177.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 17' ' ' LYS . . . . . 0.737 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 71.3 mmtt -78.4 -35.56 46.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.326 -1.307 . . . . 1.3500000000000001 110.427 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 18' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 18.8 t70 -79.35 -29.51 42.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.96 -0.564 . . . . 2.1400000000000001 110.586 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -87.44 -66.65 0.89 Allowed 'General case' 0 C--O 1.249 1.055 0 C-N-CA 119.272 -0.971 . . . . 2.0 111.558 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 20' ' ' VAL . . . . . 0.483 ' O ' HG13 ' S' ' 24' ' ' ILE . 2.5 t -84.07 -30.8 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 114.97 -1.014 . . . . 0.19 112.019 -177.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 21' ' ' HIS . . . . . 0.737 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.2 t-80 -82.97 -31.24 27.7 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 118.873 -1.131 . . . . 1.1699999999999999 109.775 -178.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 22' ' ' ASP . . . . . 0.479 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 15.7 t70 -55.65 -60.34 3.58 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 117.992 -1.483 . . . . 0.26000000000000001 107.687 178.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -40.77 78.88 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 119.477 -0.889 . . . . 0.73999999999999999 113.164 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 24' ' ' ILE . . . . . 0.909 HG21 ' HA ' ' S' ' 33' ' ' ASN . 61.2 mt -59.53 -66.33 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.142 0 N-CA-C 112.738 0.644 . . . . 0.12 112.738 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 25' ' ' GLN . . . . . 0.629 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 31.2 mt-30 -35.57 -54.14 0.69 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.919 0.866 . . . . 1.1899999999999999 109.355 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -54.39 -64.84 0.7 Allowed 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 113.994 -1.457 . . . . 2.3900000000000001 111.061 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.623 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 11.3 mt -93.42 -60.1 1.86 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 116.524 2.046 . . . . 0.60999999999999999 116.524 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.743 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 2.4 mptp? -82.4 -8.86 59.62 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 117.538 2.422 . . . . 1.3100000000000001 117.538 -172.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 29' ' ' ASP . . . . . 0.629 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 4.7 p-10 -34.22 -20.63 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.757 1.762 . . . . 2.1699999999999999 115.757 -173.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 30' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' S' ' 28' ' ' LYS . 8.8 m-20 -89.02 -73.47 0.5 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.562 1.074 . . . . 2.1400000000000001 111.917 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 31' ' ' VAL . . . . . 0.562 HG23 ' H ' ' S' ' 32' ' ' GLY . 1.7 m -87.96 -57.43 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 115.021 -0.99 . . . . 1.3200000000000001 113.417 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.743 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -55.65 -14.78 7.6 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-N 115.502 -0.772 . . . . 0.19 112.404 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 33' ' ' ASN . . . . . 0.909 ' HA ' HG21 ' S' ' 24' ' ' ILE . 25.7 p-10 -50.25 -11.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.655 0.983 . . . . 2.0499999999999998 113.655 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 34' ' ' LYS . . . . . 0.561 ' HG3' HG23 ' S' ' 38' ' ' VAL . 7.6 tptm -84.81 -29.48 25.35 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.214 -0.594 . . . . 1.04 110.813 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 35' ' ' ALA . . . . . 0.706 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -49.23 -38.45 26.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.441 -0.345 . . . . 0.23999999999999999 111.682 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 36' ' ' ALA . . . . . 0.605 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -80.13 -22.67 41.83 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.729 0.776 . . . . 0.58999999999999997 109.805 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 37' ' ' GLU . . . . . 0.552 ' HB2' ' HD2' ' S' ' 34' ' ' LYS . 16.8 mm-40 -84.94 -21.49 29.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.869 -1.059 . . . . 2.2400000000000002 109.298 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 38' ' ' VAL . . . . . 0.561 HG23 ' HG3' ' S' ' 34' ' ' LYS . 74.3 t -71.05 -47.46 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 108.244 -1.021 . . . . 0.45000000000000001 108.244 178.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 39' ' ' ARG . . . . . 0.591 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 1.6 tmt_? -60.71 -27.55 67.98 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.079 -1.082 . . . . 1.24 108.079 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.69 -23.59 56.18 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.846 -1.07 . . . . 0.70999999999999996 110.244 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.71 -57.29 3.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.667 -0.697 . . . . 0.28000000000000003 111.533 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 m -51.5 -46.92 36.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.012 -0.54 . . . . 0.35999999999999999 111.636 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 48.3 t -54.45 -57.13 12.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.013 -0.54 . . . . 1.24 110.086 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 44.9 t -47.76 -39.31 17.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.487 -0.779 . . . . 1.3100000000000001 111.547 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 45' ' ' THR . . . . . 0.418 ' O ' HG13 ' S' ' 49' ' ' ILE . 32.3 m -57.2 -37.75 72.65 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.144 0.497 . . . . 0.81000000000000005 110.723 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 46' ' ' VAL . . . . . 0.421 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 97.0 t -77.06 -63.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.555 -0.748 . . . . 0.34000000000000002 110.045 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 47' ' ' GLU . . . . . 0.633 ' HB3' HD21 ' S' ' 66' ' ' LEU . 56.4 mt-10 -39.84 -23.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.21 -0.905 . . . . 2.4399999999999999 112.4 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -87.36 -60.15 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.305 -0.558 . . . . 1.0 111.62 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 49' ' ' ILE . . . . . 0.608 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.2 pp -57.57 -19.97 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 CA-C-O 120.95 0.405 . . . . 0.34000000000000002 111.347 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 50' ' ' LYS . . . . . 0.745 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.1 OUTLIER -78.54 -60.65 2.29 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 120.102 -0.639 . . . . 1.5900000000000001 111.722 -179.318 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 51' ' ' ASP . . . . . 0.745 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 8.1 t70 -86.67 -37.23 18.2 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.0 0.741 . . . . 1.0600000000000001 113.0 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 52' ' ' LYS . . . . . 0.657 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 23.5 ttpt -69.62 -48.58 59.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.017 0.437 . . . . 2.23 110.366 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 53' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 1.2 mm? -80.64 -6.3 58.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.875 -0.602 . . . . 0.66000000000000003 110.142 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 54' ' ' SER . . . . . 0.497 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 48.3 t -45.14 -50.15 11.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.987 -1.006 . . . . 0.85999999999999999 111.434 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 125.01 -17.94 7.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.958 -0.639 . . . . 0.52000000000000002 112.215 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -151.14 51.84 0.51 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.044 -0.598 . . . . 1.1299999999999999 112.314 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 57' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' S' ' 51' ' ' ASP . 92.6 p -65.92 116.76 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.687 0.28 . . . . 1.29 110.929 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 79.7 p -171.42 14.19 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.337 -0.392 . . . . 1.95 111.422 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 59' ' ' SER . . . . . 0.489 ' HB3' ' HB2' ' S' ' 3' ' ' GLN . 67.3 m -74.58 -97.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.607 -0.27 . . . . 1.28 110.799 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 60' ' ' ARG . . . . . 0.596 ' H ' ' H ' ' S' ' 3' ' ' GLN . 32.4 tpt180 -74.05 74.36 1.71 Allowed 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.916 -0.401 . . . . 2.5600000000000001 109.916 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.25 -7.02 47.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.372 -0.376 . . . . 1.1000000000000001 111.243 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 59.7 m -86.54 -1.83 57.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 1.6699999999999999 111.016 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -55.95 115.37 2.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 2.3100000000000001 111.097 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -99.26 23.29 9.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 6.0099999999999998 110.812 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 65' ' ' THR . . . . . . . . . . . . . 68.1 p -124.15 -64.35 1.14 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.136 -0.483 . . . . 1.6399999999999999 111.196 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 66' ' ' LEU . . . . . 0.661 ' HB3' ' HB2' ' S' ' 1' ' ' MET . 5.8 mp -80.83 -48.83 11.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 1.8300000000000001 110.88 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.15 -0.929 . . . . 3.5499999999999998 110.826 179.902 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' S' S ' 3' ' ' GLN . . . . . 0.525 ' HG3' ' HD3' ' S' ' 6' ' ' ARG . 35.6 tt0 . . . . . 0 C--O 1.239 0.513 0 N-CA-C 113.104 0.779 . . . . 1.8 113.104 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 4' ' ' GLU . . . . . 0.649 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.3 OUTLIER -70.93 -17.69 62.68 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 118.862 -1.135 . . . . 1.37 111.928 -177.11 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 5' ' ' THR . . . . . 0.454 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 73.0 m -63.5 -63.88 1.06 Allowed 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 119.229 -0.989 . . . . 1.04 108.94 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 6' ' ' ARG . . . . . 0.533 ' O ' ' HB2' ' S' ' 10' ' ' LYS . 12.2 ptm180 -46.86 -63.67 0.97 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.443 0.534 . . . . 1.95 112.443 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -49.98 64.49 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 114.625 1.343 . . . . 1.3 114.625 -177.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 8' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 11.7 mm100 -83.51 -58.13 2.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.723 0.638 . . . . 1.34 112.723 -176.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 9' ' ' MET . . . . . 0.454 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 0.2 OUTLIER -47.0 -51.62 16.73 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.399 -0.52 . . . . 1.34 111.459 -178.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 10' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 2.7 mtmt -66.08 -44.84 83.28 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.484 0.55 . . . . 3.19 112.484 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 11' ' ' ASN . . . . . 0.43 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 2.9 t-20 -78.86 -61.91 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.289 0.477 . . . . 1.27 112.289 -178.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 12' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.93 -53.38 7.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.2 110.694 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.21 -54.92 37.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.114 -0.698 . . . . 0.18 109.114 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 14' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -40.72 -57.35 1.93 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.67 -0.695 . . . . 0.17 112.256 178.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.57 -19.37 65.89 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 113.072 0.767 . . . . 1.28 113.072 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 16' ' ' ALA . . . . . 0.551 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -86.28 -32.42 21.09 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.622 0.725 . . . . 0.14 109.14 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 17' ' ' LYS . . . . . 0.684 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 70.8 mmtt -78.82 -33.32 46.21 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 114.589 -1.187 . . . . 1.35 110.156 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 18' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 30.3 m-20 -78.06 -28.1 48.82 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.256 -0.578 . . . . 2.14 110.031 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -87.35 -66.22 0.93 Allowed 'General case' 0 C--O 1.248 0.995 0 C-N-CA 119.332 -0.947 . . . . 2.0 111.422 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 20' ' ' VAL . . . . . 0.536 ' O ' HG13 ' S' ' 24' ' ' ILE . 3.0 t -84.39 -30.44 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 CA-C-N 114.967 -1.015 . . . . 0.19 112.008 -177.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 21' ' ' HIS . . . . . 0.684 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 2.2 t-160 -83.02 -31.49 27.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 118.907 -1.117 . . . . 1.17 109.665 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 22' ' ' ASP . . . . . 0.479 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 19.7 t70 -56.48 -60.25 3.8 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 118.136 -1.425 . . . . 0.26 107.813 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -54.86 -39.75 68.95 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 119.848 -0.741 . . . . 0.74 112.952 176.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 24' ' ' ILE . . . . . 0.896 HG21 ' HA ' ' S' ' 33' ' ' ASN . 67.7 mt -62.48 -66.65 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 113.025 0.75 . . . . 0.12 113.025 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 25' ' ' GLN . . . . . 0.592 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 5.4 mt-30 -36.05 -56.03 0.75 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.956 0.884 . . . . 1.19 109.488 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -52.56 -64.52 0.79 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.125 -1.398 . . . . 2.39 111.205 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 27' ' ' LEU . . . . . 0.63 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 10.1 mt -93.23 -60.4 1.8 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 116.507 2.04 . . . . 0.61 116.507 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.765 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.82 -7.94 59.62 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 117.224 2.305 . . . . 1.31 117.224 -172.677 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 29' ' ' ASP . . . . . 0.592 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 17.1 t70 -34.43 -21.55 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.788 1.773 . . . . 2.17 115.788 -173.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 30' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' S' ' 28' ' ' LYS . 18.0 t70 -87.99 -73.78 0.47 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.793 1.179 . . . . 2.14 111.818 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 31' ' ' VAL . . . . . 0.687 HG13 ' H ' ' S' ' 32' ' ' GLY . 5.8 p -88.06 -58.42 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 113.615 0.969 . . . . 1.32 113.615 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.765 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -51.92 -15.96 2.66 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-N 114.98 -1.009 . . . . 0.19 112.769 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 33' ' ' ASN . . . . . 0.896 ' HA ' HG21 ' S' ' 24' ' ' ILE . 57.9 t30 -50.63 -5.14 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.261 0.838 . . . . 2.05 113.261 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 34' ' ' LYS . . . . . 0.574 ' O ' HG23 ' S' ' 38' ' ' VAL . 4.4 tmtp? -85.73 -40.64 15.88 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.133 -0.627 . . . . 1.04 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 35' ' ' ALA . . . . . 0.583 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -39.69 -36.81 0.45 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.541 -0.754 . . . . 0.24 111.899 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 36' ' ' ALA . . . . . 0.439 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -70.04 -65.43 0.72 Allowed 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.177 -0.675 . . . . 0.59 109.177 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -43.95 -21.71 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.092 -0.503 . . . . 2.24 112.227 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 38' ' ' VAL . . . . . 0.574 HG23 ' O ' ' S' ' 34' ' ' LYS . 97.0 t -73.21 -51.38 26.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.861 0.362 . . . . 0.45 110.355 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 39' ' ' ARG . . . . . 0.551 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 4.2 tmt_? -48.94 -40.12 29.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.93 -0.577 . . . . 1.24 110.696 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -75.71 -22.02 57.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.71 111.528 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.38 -57.09 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.754 0.312 . . . . 0.28 111.174 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 42' ' ' VAL . . . . . 0.406 HG23 ' N ' ' S' ' 43' ' ' SER . 3.6 m -61.72 -47.11 94.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.148 0.499 . . . . 0.36 111.38 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 43' ' ' SER . . . . . 0.406 ' N ' HG23 ' S' ' 42' ' ' VAL . 39.4 t -52.37 -52.17 54.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.402 -0.817 . . . . 1.24 109.926 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -49.68 -41.04 42.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.341 -0.845 . . . . 1.31 111.849 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 86.5 m -56.77 -39.68 74.49 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.17 0.509 . . . . 0.81 110.916 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 46' ' ' VAL . . . . . . . . . . . . . 90.6 t -74.68 -63.33 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.609 -0.723 . . . . 0.34 109.545 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . 0.649 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 0.9 OUTLIER -45.25 -18.95 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.108 -0.951 . . . . 2.44 112.386 178.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 63.4 m -82.34 -59.84 2.41 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.132 -0.627 . . . . 1.0 110.067 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 49' ' ' ILE . . . . . 0.56 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.6 pp -63.91 -18.77 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.55 -0.75 . . . . 0.34 111.434 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 50' ' ' LYS . . . . . 0.714 ' HG3' ' N ' ' S' ' 51' ' ' ASP . 13.1 ptmt -75.5 -62.08 1.69 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.608 0.595 . . . . 1.59 112.608 -178.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 51' ' ' ASP . . . . . 0.714 ' N ' ' HG3' ' S' ' 50' ' ' LYS . 0.3 OUTLIER -88.41 -38.88 14.71 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 115.077 1.51 . . . . 1.06 115.077 -176.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -76.17 -40.76 51.73 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.249 -0.58 . . . . 2.23 110.463 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 53' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.3 mm? -83.15 -8.2 59.53 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 109.167 -0.679 . . . . 0.66 109.167 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 54' ' ' SER . . . . . 0.492 ' HB3' ' HA ' ' S' ' 51' ' ' ASP . 15.7 p -43.72 -37.88 2.88 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.524 -1.216 . . . . 0.86 111.662 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.852 -0.689 . . . . 0.52 112.516 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' S' S ' 3' ' ' GLN . . . . . 0.444 ' HG2' ' OD1' ' S' ' 51' ' ' ASP . 29.4 pt20 . . . . . 0 CA--C 1.514 -0.442 0 N-CA-C 112.389 0.514 . . . . 1.8 112.389 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 4' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.8 OUTLIER -61.19 -25.59 67.14 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 118.986 -1.086 . . . . 1.37 111.954 -176.451 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 5' ' ' THR . . . . . 0.54 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 99.4 m -59.36 -63.02 1.45 Allowed 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.298 -0.961 . . . . 1.04 109.33 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 6' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' S' ' 10' ' ' LYS . 47.6 mtp180 -42.88 -66.47 0.37 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.879 -0.6 . . . . 1.95 112.573 179.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.08 -49.65 42.27 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 115.0 1.481 . . . . 1.3 115.0 -177.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 8' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 13.0 mm100 -82.7 -60.23 2.25 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.377 0.51 . . . . 1.34 112.377 -176.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 9' ' ' MET . . . . . 0.54 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 13.3 tpt -48.08 -48.11 33.66 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.492 -0.483 . . . . 1.34 111.573 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 10' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 60.6 mtpt -67.84 -41.05 83.55 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.317 0.488 . . . . 3.19 112.317 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 11' ' ' ASN . . . . . 0.457 HD22 ' C ' ' S' ' 11' ' ' ASN . 0.2 OUTLIER -83.39 -61.95 1.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.216 0.45 . . . . 1.27 112.216 -178.527 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 12' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.45 -52.8 7.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.854 0.359 . . . . 0.2 110.634 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.12 -55.16 34.24 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.107 -0.701 . . . . 0.18 109.107 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 14' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -40.9 -54.38 2.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.574 -0.739 . . . . 0.17 112.521 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -68.48 -19.41 64.54 Favored 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 113.463 0.912 . . . . 1.28 113.463 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 16' ' ' ALA . . . . . 0.465 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -85.59 -31.86 22.4 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-O 121.644 0.735 . . . . 0.14 109.105 -177.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 17' ' ' LYS . . . . . 0.715 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 31.3 mmtp -78.91 -32.41 45.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.498 -1.228 . . . . 1.35 110.17 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 18' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 17.5 t70 -78.27 -29.47 48.0 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.066 -0.515 . . . . 2.14 110.327 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -87.51 -65.33 1.03 Allowed 'General case' 0 C--O 1.248 1.007 0 C-N-CA 119.449 -0.9 . . . . 2.0 111.575 -177.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 20' ' ' VAL . . . . . 0.53 ' O ' HG13 ' S' ' 24' ' ' ILE . 2.1 t -83.97 -30.62 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 CA-C-N 115.107 -0.951 . . . . 0.19 112.152 -177.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 21' ' ' HIS . . . . . 0.715 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.3 t-80 -82.51 -31.95 28.96 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 118.855 -1.138 . . . . 1.17 109.63 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 22' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 23.6 t70 -55.79 -61.04 2.63 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 118.24 -1.384 . . . . 0.26 107.766 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 23' ' ' LYS . . . . . 0.445 ' HE3' ' HE2' ' S' ' 28' ' ' LYS . 17.3 ptmt -55.33 -41.98 73.19 Favored 'General case' 0 C--N 1.344 0.332 0 N-CA-C 113.196 0.813 . . . . 0.74 113.196 176.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 24' ' ' ILE . . . . . 0.852 HG21 ' HA ' ' S' ' 33' ' ' ASN . 67.9 mt -60.81 -66.21 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 113.038 0.755 . . . . 0.12 113.038 -177.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 25' ' ' GLN . . . . . 0.597 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 21.2 mt-30 -36.02 -55.24 0.76 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.858 0.837 . . . . 1.19 109.423 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -53.55 -64.82 0.7 Allowed 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.043 -1.435 . . . . 2.39 111.169 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 27' ' ' LEU . . . . . 0.548 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 11.7 mt -93.35 -60.38 1.8 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.628 2.085 . . . . 0.61 116.628 -178.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.71 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 1.9 mptp? -81.95 -8.22 59.66 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 117.093 2.257 . . . . 1.31 117.093 -172.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 29' ' ' ASP . . . . . 0.597 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 17.9 t70 -34.25 -22.78 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 115.587 1.699 . . . . 2.17 115.587 -173.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 30' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' S' ' 28' ' ' LYS . 10.4 m-20 -88.3 -73.58 0.49 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.592 1.087 . . . . 2.14 111.78 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 31' ' ' VAL . . . . . 0.594 HG23 ' H ' ' S' ' 32' ' ' GLY . 2.4 m -89.29 -58.41 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 113.862 1.06 . . . . 1.32 113.862 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.71 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -52.47 -15.96 3.26 Favored Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.556 -0.747 . . . . 0.19 112.749 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 33' ' ' ASN . . . . . 0.852 ' HA ' HG21 ' S' ' 24' ' ' ILE . 11.2 t-20 -52.95 -3.63 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.302 0.853 . . . . 2.05 113.302 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 34' ' ' LYS . . . . . 0.447 ' O ' HG23 ' S' ' 38' ' ' VAL . 5.4 tmtp? -84.84 -30.76 24.24 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.474 -0.49 . . . . 1.04 110.97 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 35' ' ' ALA . . . . . 0.536 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -53.92 -34.08 58.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.24 112.113 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 36' ' ' ALA . . . . . 0.558 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -80.62 -21.83 41.15 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.525 0.678 . . . . 0.59 109.995 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -83.46 -28.96 28.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.051 -0.977 . . . . 2.24 109.788 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 38' ' ' VAL . . . . . 0.447 HG23 ' O ' ' S' ' 34' ' ' LYS . 97.6 t -75.23 -43.19 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.546 -0.752 . . . . 0.45 109.51 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 39' ' ' ARG . . . . . 0.465 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 2.6 tmt_? -52.47 -48.14 66.06 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.789 -0.641 . . . . 1.24 109.998 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -71.4 -21.73 61.96 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.417 -0.356 . . . . 0.71 111.093 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 41' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' S' ' 38' ' ' VAL . . . -64.76 -57.3 9.32 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.376 -0.374 . . . . 0.28 111.449 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 m -56.67 -45.61 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.035 0.445 . . . . 0.36 111.165 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 58.8 m -53.44 -54.22 40.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.468 -0.787 . . . . 1.24 110.03 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 57.9 m -49.96 -39.33 40.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.361 -0.836 . . . . 1.31 111.812 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 51.4 m -58.32 -38.77 77.78 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.183 0.516 . . . . 0.81 110.629 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 46' ' ' VAL . . . . . 0.492 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 59.7 t -74.03 -63.75 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.46 -0.791 . . . . 0.34 109.326 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 6.2 mt-10 -40.56 -20.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.91 -1.041 . . . . 2.44 112.71 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 48' ' ' SER . . . . . 0.405 ' N ' ' O ' ' S' ' 46' ' ' VAL . 70.1 m -86.15 -59.97 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.745 -0.382 . . . . 1.0 111.476 -177.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 49' ' ' ILE . . . . . 0.624 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.4 pp -63.49 -19.44 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.22 -0.445 . . . . 0.34 111.884 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 50' ' ' LYS . . . . . 0.767 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -80.36 -60.86 2.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.769 0.655 . . . . 1.59 112.769 -178.572 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 51' ' ' ASP . . . . . 0.767 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.5 OUTLIER -85.82 -37.93 18.69 Favored 'General case' 0 N--CA 1.461 0.093 0 N-CA-C 114.61 1.337 . . . . 1.06 114.61 -177.761 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -79.25 -36.1 40.42 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.835 -0.746 . . . . 2.23 110.524 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 53' ' ' LEU . . . . . 0.586 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 0.3 OUTLIER -85.55 -5.94 59.23 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.72 -0.844 . . . . 0.66 108.72 177.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 54' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 41.5 t -44.13 -39.96 4.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.659 -1.155 . . . . 0.86 111.217 179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 C-N-CA 120.863 -0.684 . . . . 0.52 112.322 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' S' S ' 3' ' ' GLN . . . . . 0.439 ' HB2' ' NH2' ' S' ' 6' ' ' ARG . 27.9 pt20 . . . . . 0 C--O 1.24 0.576 0 N-CA-C 111.749 0.278 . . . . 1.8 111.749 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 4' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.9 OUTLIER -62.64 -25.09 67.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 119.01 -1.076 . . . . 1.37 111.55 -176.649 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 5' ' ' THR . . . . . 0.503 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 1.1 p -58.77 -63.69 1.2 Allowed 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 119.753 -0.779 . . . . 1.04 109.68 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 6' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' S' ' 10' ' ' LYS . 35.7 mtm180 -43.29 -66.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.004 0.742 . . . . 1.95 113.004 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -73.27 -45.89 53.15 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 114.929 1.455 . . . . 1.3 114.929 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 8' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 15.0 mm-40 -82.29 -60.81 2.08 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.489 -0.484 . . . . 1.34 112.161 -177.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 9' ' ' MET . . . . . 0.503 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 12.1 tpt -48.11 -48.28 33.95 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.036 0.384 . . . . 1.34 112.036 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 10' ' ' LYS . . . . . 0.556 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 0.6 OUTLIER -69.0 -40.72 78.55 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.462 0.542 . . . . 3.19 112.462 -179.427 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 11' ' ' ASN . . . . . 0.479 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 21.6 t-20 -82.96 -61.67 1.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.203 0.446 . . . . 1.27 112.203 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 12' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.93 -52.7 8.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.2 110.592 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.71 -54.09 42.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.231 -0.655 . . . . 0.18 109.231 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 14' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -40.94 -53.64 2.9 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.468 -0.787 . . . . 0.17 112.321 178.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -68.78 -19.33 64.3 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 113.278 0.844 . . . . 1.28 113.278 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.07 -33.24 21.02 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.572 0.701 . . . . 0.14 109.284 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 17' ' ' LYS . . . . . 0.678 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 41.9 mmtm -78.81 -33.07 46.45 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.515 -1.22 . . . . 1.35 110.128 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 18' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 17.2 t70 -77.52 -29.57 52.48 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.163 0.506 . . . . 2.14 109.98 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 19' ' ' ASN . . . . . 0.497 HD22 ' N ' ' S' ' 19' ' ' ASN . 0.9 OUTLIER -87.44 -65.54 1.0 Allowed 'General case' 0 C--O 1.247 0.973 0 C-N-CA 119.545 -0.862 . . . . 2.0 111.444 -177.004 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 20' ' ' VAL . . . . . 0.47 ' O ' HG13 ' S' ' 24' ' ' ILE . 1.9 t -84.6 -30.49 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 115.246 -0.888 . . . . 0.19 112.383 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 21' ' ' HIS . . . . . 0.678 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 5.6 t60 -82.66 -30.43 29.31 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 119.025 -1.07 . . . . 1.17 109.684 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 22' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 20.5 t70 -58.29 -60.57 3.56 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 118.066 -1.454 . . . . 0.26 107.555 178.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 23' ' ' LYS . . . . . 0.412 ' HE3' ' HE3' ' S' ' 28' ' ' LYS . 19.0 ptmt -55.41 -44.06 75.86 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 113.5 0.926 . . . . 0.74 113.5 176.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 24' ' ' ILE . . . . . 0.811 HG21 ' HA ' ' S' ' 33' ' ' ASN . 67.7 mt -59.33 -66.19 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 N-CA-C 112.751 0.648 . . . . 0.12 112.751 -177.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 25' ' ' GLN . . . . . 0.592 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 2.5 mt-30 -35.81 -56.08 0.71 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.928 0.871 . . . . 1.19 109.573 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -52.41 -64.95 0.65 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.095 -1.411 . . . . 2.39 111.276 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 27' ' ' LEU . . . . . 0.543 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 16.8 mt -93.43 -60.05 1.87 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 116.476 2.028 . . . . 0.61 116.476 -178.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.732 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.25 -7.97 59.63 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 117.103 2.26 . . . . 1.31 117.103 -172.635 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 29' ' ' ASP . . . . . 0.592 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 19.9 t70 -34.05 -22.13 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.365 1.617 . . . . 2.17 115.365 -173.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 30' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' S' ' 28' ' ' LYS . 11.3 m-20 -88.42 -73.47 0.49 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.565 1.075 . . . . 2.14 111.853 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 31' ' ' VAL . . . . . 0.589 HG23 ' H ' ' S' ' 32' ' ' GLY . 2.3 m -89.43 -58.24 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 113.929 1.085 . . . . 1.32 113.929 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.732 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -51.47 -15.58 1.98 Allowed Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.593 -0.731 . . . . 0.19 112.787 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 33' ' ' ASN . . . . . 0.811 ' HA ' HG21 ' S' ' 24' ' ' ILE . 2.8 t-20 -52.76 -4.28 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.144 0.794 . . . . 2.05 113.144 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 34' ' ' LYS . . . . . 0.647 ' O ' HG23 ' S' ' 38' ' ' VAL . 19.2 tptm -86.14 -20.58 28.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.102 -0.373 . . . . 1.04 111.222 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 35' ' ' ALA . . . . . 0.588 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -64.73 -35.49 81.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.474 -0.33 . . . . 0.24 111.468 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 36' ' ' ALA . . . . . 0.504 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -81.53 -22.25 38.03 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.596 0.712 . . . . 0.59 109.712 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 37' ' ' GLU . . . . . 0.562 ' HB2' ' HD2' ' S' ' 34' ' ' LYS . 11.3 mm-40 -83.0 -32.23 27.06 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.87 -1.059 . . . . 2.24 109.75 -178.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 38' ' ' VAL . . . . . 0.647 HG23 ' O ' ' S' ' 34' ' ' LYS . 64.5 t -72.02 -42.16 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 108.857 -0.794 . . . . 0.45 108.857 178.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -50.19 -47.75 54.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.276 -0.874 . . . . 1.24 109.898 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.42 -22.12 62.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.316 -0.402 . . . . 0.71 111.473 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.66 -57.37 7.31 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.758 0.281 . . . . 0.28 111.758 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -57.49 -46.69 85.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.13 0.491 . . . . 0.36 111.001 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 50.9 m -55.68 -53.65 54.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.401 -0.818 . . . . 1.24 109.909 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 8.5 p -48.38 -40.33 25.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.505 -0.77 . . . . 1.31 111.437 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 45' ' ' THR . . . . . 0.458 ' O ' HG13 ' S' ' 49' ' ' ILE . 88.1 m -59.41 -37.6 78.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.958 0.409 . . . . 0.81 110.929 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 46' ' ' VAL . . . . . . . . . . . . . 90.3 t -77.4 -64.41 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.742 -0.663 . . . . 0.34 110.217 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 0.6 OUTLIER -44.91 -18.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.451 -0.795 . . . . 2.44 112.425 178.754 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 45.3 t -86.53 -60.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.669 -0.412 . . . . 1.0 111.667 -177.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 49' ' ' ILE . . . . . 0.7 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -62.45 -19.56 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.502 . . . . 0.34 111.736 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 50' ' ' LYS . . . . . 0.7 ' N ' HD12 ' S' ' 49' ' ' ILE . 0.0 OUTLIER -80.84 -59.41 2.68 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.806 0.669 . . . . 1.59 112.806 -178.348 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 51' ' ' ASP . . . . . 0.409 ' OD2' ' HB3' ' S' ' 4' ' ' GLU . 0.3 OUTLIER -85.94 -39.4 16.96 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 114.585 1.328 . . . . 1.06 114.585 -178.242 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -77.16 -44.24 30.98 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.168 -0.613 . . . . 2.23 110.567 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 53' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.1 mm? -79.67 -5.31 54.88 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.474 0.654 . . . . 0.66 109.272 178.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 54' ' ' SER . . . . . 0.49 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 37.2 t -42.96 -39.69 2.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.458 -1.247 . . . . 0.86 111.6 -179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.52 112.771 179.712 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' S' S ' 3' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.241 0.617 0 CA-C-O 120.856 0.36 . . . . 1.8 111.351 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' S' S ' 4' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.2 OUTLIER -74.4 -17.97 60.73 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 118.892 -1.123 . . . . 1.37 111.827 -176.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 5' ' ' THR . . . . . 0.539 ' O ' ' HB3' ' S' ' 9' ' ' MET . 87.9 m -60.27 -63.76 1.19 Allowed 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 119.19 -1.004 . . . . 1.04 108.835 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 6' ' ' ARG . . . . . 0.508 ' O ' ' HB2' ' S' ' 10' ' ' LYS . 14.3 ptm180 -48.48 -63.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.0 -0.545 . . . . 1.95 112.451 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 7' ' ' ASP . . . . . 0.445 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.2 OUTLIER -68.62 -50.26 52.81 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 114.705 1.372 . . . . 1.3 114.705 -177.04 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 8' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 13.6 mm100 -82.96 -62.37 1.62 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.673 0.62 . . . . 1.34 112.673 -176.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 9' ' ' MET . . . . . 0.539 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.2 tpt -46.25 -47.57 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.688 -0.405 . . . . 1.34 111.88 -178.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 10' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 0.2 OUTLIER -68.51 -43.68 76.29 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 112.395 0.517 . . . . 3.19 112.395 -179.745 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 11' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 5.5 t30 -80.71 -61.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.29 0.478 . . . . 1.27 112.29 -178.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 12' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.88 -53.28 7.73 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.852 0.358 . . . . 0.2 110.527 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.03 47.11 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.095 -0.705 . . . . 0.18 109.095 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 14' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -41.41 -54.08 3.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.63 -0.714 . . . . 0.17 112.439 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -68.68 -19.16 64.37 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 113.009 0.744 . . . . 1.28 113.009 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 16' ' ' ALA . . . . . 0.477 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -86.32 -32.98 20.74 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.752 0.787 . . . . 0.14 109.071 -178.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 17' ' ' LYS . . . . . 0.701 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 30.8 mmtp -78.27 -33.1 49.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.338 -1.301 . . . . 1.35 109.94 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 18' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 18.6 t70 -78.63 -29.05 45.66 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.818 -0.628 . . . . 2.14 109.978 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -87.59 -65.51 1.01 Allowed 'General case' 0 C--O 1.247 0.961 0 C-N-CA 119.573 -0.851 . . . . 2.0 111.206 -177.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 20' ' ' VAL . . . . . 0.516 ' O ' HG13 ' S' ' 24' ' ' ILE . 2.1 t -84.11 -31.44 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.727 0 CA-C-N 115.06 -0.973 . . . . 0.19 112.141 -177.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 21' ' ' HIS . . . . . 0.701 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.1 t-160 -82.61 -31.91 28.65 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 118.957 -1.097 . . . . 1.17 109.899 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 22' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 15.3 t70 -55.85 -60.62 3.2 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 118.006 -1.478 . . . . 0.26 107.459 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -54.73 -43.29 72.5 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 113.269 0.84 . . . . 0.74 113.269 176.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 24' ' ' ILE . . . . . 0.853 HG21 ' HA ' ' S' ' 33' ' ' ASN . 73.0 mt -60.95 -66.54 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 113.224 0.824 . . . . 0.12 113.224 -177.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 25' ' ' GLN . . . . . 0.577 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 15.4 mt-30 -35.96 -54.9 0.76 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.916 0.865 . . . . 1.19 109.567 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -54.2 -64.97 0.66 Allowed 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.072 -1.422 . . . . 2.39 111.201 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 27' ' ' LEU . . . . . 0.611 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 12.9 mt -93.24 -60.4 1.8 Allowed 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 116.593 2.072 . . . . 0.61 116.593 -178.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.744 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.23 -7.86 59.63 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 117.089 2.255 . . . . 1.31 117.089 -172.622 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 29' ' ' ASP . . . . . 0.577 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 20.4 t70 -34.28 -21.34 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.42 1.637 . . . . 2.17 115.42 -173.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 30' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' S' ' 28' ' ' LYS . 4.8 m-20 -88.43 -73.32 0.5 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.568 1.076 . . . . 2.14 111.674 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 31' ' ' VAL . . . . . 0.579 HG23 ' H ' ' S' ' 32' ' ' GLY . 2.1 m -89.92 -58.28 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 113.998 1.11 . . . . 1.32 113.998 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.744 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -52.65 -15.88 3.4 Favored Glycine 0 CA--C 1.522 0.516 0 CA-C-N 115.54 -0.754 . . . . 0.19 112.91 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 33' ' ' ASN . . . . . 0.853 ' HA ' HG21 ' S' ' 24' ' ' ILE . 64.8 t30 -53.14 -3.59 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.328 0.862 . . . . 2.05 113.328 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 34' ' ' LYS . . . . . 0.533 ' O ' HG23 ' S' ' 38' ' ' VAL . 5.2 tmtp? -84.24 -32.49 24.45 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.27 -0.572 . . . . 1.04 110.965 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 35' ' ' ALA . . . . . 0.499 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -53.09 -32.56 47.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.36 0.504 . . . . 0.24 112.36 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 36' ' ' ALA . . . . . 0.523 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -80.89 -22.43 39.8 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.396 0.617 . . . . 0.59 110.317 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 37' ' ' GLU . . . . . 0.425 ' HB2' ' HD3' ' S' ' 34' ' ' LYS . 37.4 mt-10 -84.09 -27.01 28.54 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.207 -0.906 . . . . 2.24 109.476 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 38' ' ' VAL . . . . . 0.533 HG23 ' O ' ' S' ' 34' ' ' LYS . 77.9 t -75.53 -44.75 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.477 -0.783 . . . . 0.45 109.405 178.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 39' ' ' ARG . . . . . 0.477 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 2.5 tmt_? -51.33 -49.12 61.98 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.622 -0.717 . . . . 1.24 110.254 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -70.88 -21.8 62.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.373 -0.376 . . . . 0.71 111.231 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.93 -57.43 6.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.436 -0.347 . . . . 0.28 111.863 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -56.58 -46.22 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.175 0.512 . . . . 0.36 111.038 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 39.7 t -52.86 -51.14 62.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.369 -0.832 . . . . 1.24 109.883 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 6.8 p -49.14 -37.94 23.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.448 -0.796 . . . . 1.31 111.436 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 71.1 m -59.79 -40.01 86.87 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.99 0.424 . . . . 0.81 110.762 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 46' ' ' VAL . . . . . . . . . . . . . 61.9 t -75.14 -61.69 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.34 109.61 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 33.9 mt-10 -40.8 -21.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.884 -1.053 . . . . 2.44 112.451 178.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 68.9 m -87.02 -59.82 2.15 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.785 -0.366 . . . . 1.0 111.548 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 49' ' ' ILE . . . . . 0.591 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.4 pp -58.91 -19.05 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.965 0.412 . . . . 0.34 111.482 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 50' ' ' LYS . . . . . 0.753 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -81.23 -60.78 2.16 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 120.236 -0.585 . . . . 1.59 112.13 -179.174 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 51' ' ' ASP . . . . . 0.753 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.2 OUTLIER -86.62 -40.51 15.09 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 114.066 1.135 . . . . 1.06 114.066 -178.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.63 -41.64 62.51 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.651 -0.42 . . . . 2.23 110.553 -178.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 53' ' ' LEU . . . . . 0.539 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.1 mm? -83.42 -7.12 59.61 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 121.378 0.608 . . . . 0.66 109.469 178.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 54' ' ' SER . . . . . 0.521 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 46.8 t -43.91 -37.69 3.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.641 -1.163 . . . . 0.86 111.688 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.806 -0.711 . . . . 0.52 112.372 -179.775 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' S' S ' 3' ' ' GLN . . . . . 0.454 ' HG2' ' OD1' ' S' ' 51' ' ' ASP . 25.8 pt20 . . . . . 0 C--O 1.238 0.478 0 CA-C-O 120.499 0.19 . . . . 1.8 111.4 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 4' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.4 OUTLIER -72.15 -19.34 61.78 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 118.995 -1.082 . . . . 1.37 111.57 -177.09 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 5' ' ' THR . . . . . 0.497 ' O ' ' HB3' ' S' ' 9' ' ' MET . 87.7 m -61.73 -63.87 1.12 Allowed 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 119.079 -1.049 . . . . 1.04 109.177 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 6' ' ' ARG . . . . . 0.442 ' HG3' ' H ' ' S' ' 7' ' ' ASP . 12.3 ptm180 -47.52 -63.87 0.94 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.508 0.558 . . . . 1.95 112.508 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 7' ' ' ASP . . . . . 0.442 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.1 OUTLIER -69.08 -49.43 57.32 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 114.635 1.346 . . . . 1.3 114.635 -177.373 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 8' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 23.3 mm-40 -83.45 -61.53 1.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.375 0.509 . . . . 1.34 112.375 -177.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 9' ' ' MET . . . . . 0.497 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.7 tpt -48.8 -48.61 41.2 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.436 -0.505 . . . . 1.34 111.769 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -67.13 -42.92 83.64 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.261 0.467 . . . . 3.19 112.261 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -83.29 -62.09 1.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.332 0.493 . . . . 1.27 112.332 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 12' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.81 -52.37 8.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.715 0.293 . . . . 0.2 110.592 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 13' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' S' ' 9' ' ' MET . . . -57.28 -55.31 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.156 -0.683 . . . . 0.18 109.156 178.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.74 -55.02 3.14 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.788 -0.642 . . . . 0.17 112.078 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -67.22 -18.81 65.39 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 112.456 0.539 . . . . 1.28 112.456 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 16' ' ' ALA . . . . . 0.503 ' HB2' HH11 ' S' ' 39' ' ' ARG . . . -86.08 -29.11 23.64 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.559 -0.904 . . . . 0.14 108.559 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 17' ' ' LYS . . . . . 0.674 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 67.4 mmtt -78.83 -32.87 46.33 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 113.999 -1.455 . . . . 1.35 109.754 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 18' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 29.0 m-20 -79.49 -27.97 41.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.961 -0.563 . . . . 2.14 109.962 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -87.51 -65.75 0.98 Allowed 'General case' 0 C--O 1.25 1.129 0 C-N-CA 119.428 -0.909 . . . . 2.0 111.219 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 20' ' ' VAL . . . . . 0.56 ' O ' HG13 ' S' ' 24' ' ' ILE . 3.6 t -83.78 -31.89 8.44 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.69 0 CA-C-N 115.078 -0.965 . . . . 0.19 111.983 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 21' ' ' HIS . . . . . 0.674 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.4 t-80 -83.17 -31.16 27.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 119.021 -1.071 . . . . 1.17 110.119 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 22' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 16.2 t70 -56.27 -60.36 3.62 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 118.086 -1.446 . . . . 0.26 107.587 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 23' ' ' LYS . . . . . 0.546 ' HD3' ' HA ' ' S' ' 20' ' ' VAL . 15.0 ptmt -53.27 -40.68 64.86 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 119.732 -0.787 . . . . 0.74 112.822 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 24' ' ' ILE . . . . . 0.85 HG21 ' HA ' ' S' ' 33' ' ' ASN . 60.2 mt -62.07 -66.95 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 113.572 0.953 . . . . 0.12 113.572 -177.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 25' ' ' GLN . . . . . 0.658 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 32.7 mt-30 -36.22 -53.9 0.81 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.84 0.829 . . . . 1.19 109.407 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -54.68 -64.44 0.83 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.215 -1.357 . . . . 2.39 111.096 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 27' ' ' LEU . . . . . 0.611 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 15.3 mt -92.96 -59.91 1.93 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.496 2.036 . . . . 0.61 116.496 -178.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.636 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 8.2 mptt -82.26 -8.72 59.64 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 117.049 2.24 . . . . 1.31 117.049 -172.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 29' ' ' ASP . . . . . 0.658 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 4.6 p-10 -34.86 -24.01 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 115.844 1.794 . . . . 2.17 115.844 -173.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 30' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' S' ' 28' ' ' LYS . 19.4 t70 -88.79 -74.23 0.47 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.654 1.116 . . . . 2.14 112.207 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 31' ' ' VAL . . . . . 0.703 HG13 ' H ' ' S' ' 32' ' ' GLY . 2.1 p -87.88 -59.14 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.347 -0.842 . . . . 1.32 113.115 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.703 ' H ' HG13 ' S' ' 31' ' ' VAL . . . -54.61 -15.64 6.32 Favored Glycine 0 C--N 1.312 -0.779 0 CA-C-N 114.433 -1.258 . . . . 0.19 112.395 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 33' ' ' ASN . . . . . 0.85 ' HA ' HG21 ' S' ' 24' ' ' ILE . 0.1 OUTLIER -53.46 -4.0 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.918 1.081 . . . . 2.05 113.918 -179.061 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 34' ' ' LYS . . . . . 0.604 ' O ' HG23 ' S' ' 38' ' ' VAL . 4.6 tmtp? -85.39 -33.53 21.96 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.156 -0.618 . . . . 1.04 109.507 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 35' ' ' ALA . . . . . 0.848 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -39.17 -42.41 0.96 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.104 -0.953 . . . . 0.24 112.368 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 36' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -66.8 -64.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.655 -0.498 . . . . 0.59 109.655 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -45.25 -21.21 0.07 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.138 -0.483 . . . . 2.24 112.158 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 38' ' ' VAL . . . . . 0.604 HG23 ' O ' ' S' ' 34' ' ' LYS . 97.4 t -76.2 -54.87 12.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.777 0.322 . . . . 0.45 110.362 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 39' ' ' ARG . . . . . 0.503 HH11 ' HB2' ' S' ' 16' ' ' ALA . 4.9 tmt_? -53.03 -30.83 37.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.144 0.497 . . . . 1.24 110.279 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -78.6 -23.68 45.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.925 -0.58 . . . . 0.71 110.791 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.48 -55.63 28.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.476 . . . . 0.28 110.845 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -59.13 -47.47 90.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 116.064 -0.516 . . . . 0.36 110.845 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 36.0 t -52.56 -52.13 56.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.592 -0.731 . . . . 1.24 109.775 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 41.1 t -48.97 -39.93 28.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.151 -0.931 . . . . 1.31 111.776 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 62.0 m -57.66 -38.35 74.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.086 0.47 . . . . 0.81 110.771 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 46' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.93 -63.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.665 -0.698 . . . . 0.34 109.807 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 7.9 mt-10 -40.96 -20.66 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.2 -0.909 . . . . 2.44 112.785 178.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 34.0 t -86.92 -60.13 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.697 -0.401 . . . . 1.0 111.677 -177.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 49' ' ' ILE . . . . . 0.639 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -58.79 -19.11 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.34 111.517 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 50' ' ' LYS . . . . . 0.761 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -80.76 -61.17 2.05 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.267 -0.573 . . . . 1.59 112.446 -178.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 51' ' ' ASP . . . . . 0.761 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.4 OUTLIER -87.4 -40.69 14.18 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 114.386 1.254 . . . . 1.06 114.386 -178.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -73.59 -42.65 61.27 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.143 -0.623 . . . . 2.23 110.421 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 53' ' ' LEU . . . . . 0.541 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 3.1 mm? -80.24 -8.06 59.28 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.373 0.606 . . . . 0.66 109.428 178.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 54' ' ' SER . . . . . 0.502 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 43.8 t -44.51 -47.6 10.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.585 -1.188 . . . . 0.86 111.456 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.853 -0.689 . . . . 0.52 112.309 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' S' S ' 3' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--O 1.239 0.546 0 N-CA-C 111.788 0.292 . . . . 1.8 111.788 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' S' S ' 4' ' ' GLU . . . . . 0.56 ' O ' ' HB2' ' S' ' 8' ' ' GLN . 0.2 OUTLIER -73.42 -17.25 61.28 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 118.829 -1.148 . . . . 1.37 111.62 -177.215 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 5' ' ' THR . . . . . 0.554 ' O ' ' HB3' ' S' ' 9' ' ' MET . 48.8 m -62.54 -64.12 1.02 Allowed 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 119.168 -1.013 . . . . 1.04 108.921 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 6' ' ' ARG . . . . . 0.449 ' HG3' ' H ' ' S' ' 7' ' ' ASP . 13.2 ptm180 -47.29 -63.89 0.93 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 112.277 0.473 . . . . 1.95 112.277 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 7' ' ' ASP . . . . . 0.524 ' HB3' ' NE2' ' S' ' 8' ' ' GLN . 0.1 OUTLIER -68.73 -50.48 50.38 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 114.935 1.458 . . . . 1.3 114.935 -177.355 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 8' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 1.8 mp0 -83.35 -59.93 2.3 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.558 0.577 . . . . 1.34 112.558 -177.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 9' ' ' MET . . . . . 0.554 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.2 tpt -47.25 -47.15 24.87 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.589 -0.444 . . . . 1.34 111.442 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 10' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' S' ' 6' ' ' ARG . 28.0 ttpp -69.93 -46.47 65.27 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.208 0.447 . . . . 3.19 112.208 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 11' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 4.6 t-20 -77.34 -61.8 1.87 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.003 0.372 . . . . 1.27 112.003 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 12' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -45.27 -51.21 11.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.677 0.275 . . . . 0.2 110.43 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.32 -55.11 37.49 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.049 -0.722 . . . . 0.18 109.049 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 14' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -40.54 -57.0 1.95 Allowed 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.755 -0.657 . . . . 0.17 112.157 178.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -67.83 -19.25 65.04 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 113.068 0.766 . . . . 1.28 113.068 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.3 -32.87 20.83 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.786 0.803 . . . . 0.14 109.264 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 17' ' ' LYS . . . . . 0.682 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 31.1 mmtp -78.67 -34.02 46.58 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.231 -1.35 . . . . 1.35 110.163 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 18' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 15.0 t70 -79.33 -27.61 42.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.871 -0.604 . . . . 2.14 110.54 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -87.25 -67.21 0.84 Allowed 'General case' 0 C--O 1.249 1.037 0 C-N-CA 118.966 -1.094 . . . . 2.0 111.34 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 20' ' ' VAL . . . . . 0.533 ' O ' HG13 ' S' ' 24' ' ' ILE . 3.9 t -84.25 -31.78 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 CA-C-N 114.922 -1.035 . . . . 0.19 111.613 -178.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 21' ' ' HIS . . . . . 0.682 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 5.9 t60 -83.68 -30.11 27.06 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 118.956 -1.098 . . . . 1.17 110.338 -178.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 22' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 14.0 t70 -57.29 -59.48 5.05 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 118.137 -1.425 . . . . 0.26 107.692 178.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -38.06 75.07 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 119.607 -0.837 . . . . 0.74 112.486 177.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 24' ' ' ILE . . . . . 0.876 HG21 ' HA ' ' S' ' 33' ' ' ASN . 39.2 mt -59.33 -65.57 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 112.499 0.555 . . . . 0.12 112.499 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 25' ' ' GLN . . . . . 0.686 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 33.9 mt-30 -36.04 -53.54 0.78 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.848 0.832 . . . . 1.19 109.252 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 26' ' ' GLU . . . . . 0.511 ' HB2' HD12 ' S' ' 27' ' ' LEU . 11.9 mm-40 -53.34 -64.95 0.66 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.199 -1.364 . . . . 2.39 111.234 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 27' ' ' LEU . . . . . 0.678 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 4.8 mp -93.58 -59.47 2.0 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 116.091 1.886 . . . . 0.61 116.091 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.678 ' HD2' ' HB2' ' S' ' 27' ' ' LEU . 8.4 mptt -81.38 -9.06 59.81 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 117.104 2.261 . . . . 1.31 117.104 -172.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 29' ' ' ASP . . . . . 0.686 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 6.2 p-10 -34.71 -23.04 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.454 1.65 . . . . 2.17 115.454 -173.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 30' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' S' ' 28' ' ' LYS . 30.7 t70 -88.91 -73.66 0.49 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.36 0.982 . . . . 2.14 111.901 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 31' ' ' VAL . . . . . 0.59 HG23 ' H ' ' S' ' 32' ' ' GLY . 1.8 m -90.61 -58.51 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 113.382 0.882 . . . . 1.32 113.382 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.648 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -53.23 -15.78 4.1 Favored Glycine 0 CA--C 1.521 0.466 0 CA-C-N 115.559 -0.746 . . . . 0.19 112.239 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 33' ' ' ASN . . . . . 0.876 ' HA ' HG21 ' S' ' 24' ' ' ILE . 27.7 p-10 -53.19 -3.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.431 0.9 . . . . 2.05 113.431 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 34' ' ' LYS . . . . . 0.63 ' O ' HG23 ' S' ' 38' ' ' VAL . 22.2 tptm -85.19 -37.87 19.64 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.656 -0.418 . . . . 1.04 110.089 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 35' ' ' ALA . . . . . 0.705 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -40.38 -37.39 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.503 -0.772 . . . . 0.24 112.297 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 36' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -70.25 -65.72 0.69 Allowed 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.612 -0.435 . . . . 0.59 109.963 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -45.73 -20.81 0.09 Allowed 'General case' 0 C--O 1.232 0.17 0 N-CA-C 112.091 0.404 . . . . 2.24 112.091 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 38' ' ' VAL . . . . . 0.63 HG23 ' O ' ' S' ' 34' ' ' LYS . 83.0 t -72.29 -53.46 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 0.45 110.505 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 39' ' ' ARG . . . . . 0.432 ' O ' ' HD3' ' S' ' 39' ' ' ARG . 0.0 OUTLIER -50.69 -38.0 44.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.968 -0.56 . . . . 1.24 110.815 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -76.29 -21.46 56.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.396 -0.366 . . . . 0.71 111.182 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.67 -56.86 16.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.28 110.655 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 3.0 m -61.3 -46.07 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.931 -0.577 . . . . 0.36 111.211 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 84.5 p -52.74 -51.66 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.401 -0.818 . . . . 1.24 109.66 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 44.9 t -48.83 -39.65 26.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.448 -0.797 . . . . 1.31 111.427 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 35.0 m -57.18 -37.6 72.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.179 0.514 . . . . 0.81 110.208 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 46' ' ' VAL . . . . . 0.415 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 42.6 t -76.11 -63.29 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.408 -0.814 . . . . 0.34 109.609 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 1.0 OUTLIER -41.14 -20.96 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.383 -0.826 . . . . 2.44 112.626 178.273 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 51.2 m -86.58 -60.04 2.1 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.656 -0.418 . . . . 1.0 111.485 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 49' ' ' ILE . . . . . 0.631 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -58.96 -18.51 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.133 -0.485 . . . . 0.34 111.557 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 50' ' ' LYS . . . . . 0.775 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 11.8 ptpt -81.85 -61.06 2.03 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.6 0.593 . . . . 1.59 112.6 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 51' ' ' ASP . . . . . 0.775 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.3 OUTLIER -86.86 -42.29 13.35 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 114.478 1.288 . . . . 1.06 114.478 -177.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -73.97 -38.38 64.19 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.341 -0.543 . . . . 2.23 110.265 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 53' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.5 mm? -85.43 -7.78 58.74 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.311 0.577 . . . . 0.66 109.658 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 54' ' ' SER . . . . . 0.522 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 41.1 t -43.51 -39.76 3.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.659 -1.155 . . . . 0.86 111.592 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.798 -0.715 . . . . 0.52 112.533 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' S' S ' 3' ' ' GLN . . . . . 0.44 ' HG2' ' OD1' ' S' ' 51' ' ' ASP . 12.8 pt20 . . . . . 0 C--O 1.24 0.56 0 N-CA-C 113.243 0.831 . . . . 1.8 113.243 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 4' ' ' GLU . . . . . 0.67 ' HG3' ' O ' ' S' ' 47' ' ' GLU . 0.0 OUTLIER -61.41 -21.62 64.27 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 118.837 -1.145 . . . . 1.37 111.209 -177.16 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 5' ' ' THR . . . . . 0.502 ' O ' ' HB3' ' S' ' 9' ' ' MET . 90.9 m -61.15 -63.04 1.42 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 119.558 -0.857 . . . . 1.04 108.967 179.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 6' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -41.83 -65.85 0.41 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.703 -0.68 . . . . 1.95 112.522 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.78 -47.08 27.29 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.868 1.433 . . . . 1.3 114.868 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 8' ' ' GLN . . . . . 0.525 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 11.5 mm100 -78.29 -61.31 2.04 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.252 -0.579 . . . . 1.34 111.566 -177.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 9' ' ' MET . . . . . 0.502 ' HB3' ' O ' ' S' ' 5' ' ' THR . 0.7 OUTLIER -46.88 -50.34 18.82 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.501 -0.48 . . . . 1.34 111.088 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 10' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -62.94 -44.24 96.62 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.272 0.471 . . . . 3.19 112.272 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 11' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -83.27 -61.94 1.72 Allowed 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.537 0.569 . . . . 1.27 112.537 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.5 -52.97 7.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.754 0.311 . . . . 0.2 110.682 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.97 -55.83 29.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.08 -0.711 . . . . 0.18 109.08 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.77 -57.57 1.89 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.602 -0.726 . . . . 0.17 112.258 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.81 -19.4 65.87 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.135 0.791 . . . . 1.28 113.135 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 16' ' ' ALA . . . . . 0.43 ' HB2' HH11 ' S' ' 39' ' ' ARG . . . -86.07 -34.86 20.58 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.663 0.744 . . . . 0.14 109.392 -177.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 17' ' ' LYS . . . . . 0.669 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 71.4 mmtt -78.9 -32.55 45.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.489 -1.232 . . . . 1.35 110.354 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 18' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 2.5 m-20 -79.35 -28.36 42.0 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.491 -0.484 . . . . 2.14 110.343 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -87.45 -65.79 0.98 Allowed 'General case' 0 C--O 1.249 1.068 0 C-N-CA 119.277 -0.969 . . . . 2.0 111.175 -177.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 20' ' ' VAL . . . . . 0.524 ' O ' HG13 ' S' ' 24' ' ' ILE . 2.1 t -83.96 -32.07 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 CA-C-N 114.907 -1.042 . . . . 0.19 111.841 -177.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 21' ' ' HIS . . . . . 0.669 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 2.1 t-160 -83.0 -31.32 27.53 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 118.738 -1.185 . . . . 1.17 109.968 -178.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 22' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 28.9 t70 -56.7 -60.16 3.95 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 118.13 -1.428 . . . . 0.26 108.027 178.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 23' ' ' LYS . . . . . 0.423 ' HD3' ' HD3' ' S' ' 28' ' ' LYS . 0.0 OUTLIER -58.79 -38.09 77.76 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 119.52 -0.872 . . . . 0.74 113.103 177.2 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 24' ' ' ILE . . . . . 0.856 HG21 ' HA ' ' S' ' 33' ' ' ASN . 54.7 mt -61.37 -66.0 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 C-N-CA 120.395 -0.522 . . . . 0.12 112.397 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 25' ' ' GLN . . . . . 0.64 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 15.2 mt-30 -35.96 -55.26 0.75 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.886 0.85 . . . . 1.19 109.488 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -53.47 -64.69 0.74 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.197 -1.365 . . . . 2.39 111.238 178.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 27' ' ' LEU . . . . . 0.613 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 16.1 mt -93.16 -59.97 1.91 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 116.289 1.959 . . . . 0.61 116.289 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.707 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 1.9 mptp? -81.39 -8.3 59.71 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 116.895 2.184 . . . . 1.31 116.895 -172.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 29' ' ' ASP . . . . . 0.64 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 6.6 p-10 -34.35 -22.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.449 1.648 . . . . 2.17 115.449 -173.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 30' ' ' ASP . . . . . 0.542 ' N ' ' O ' ' S' ' 28' ' ' LYS . 14.6 t70 -88.47 -74.1 0.47 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 119.604 1.093 . . . . 2.14 111.879 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 31' ' ' VAL . . . . . 0.687 HG13 ' H ' ' S' ' 32' ' ' GLY . 6.5 p -89.32 -58.59 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.441 0.904 . . . . 1.32 113.441 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.707 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -51.35 -16.13 2.11 Favored Glycine 0 CA--C 1.522 0.519 0 CA-C-N 115.055 -0.975 . . . . 0.19 112.465 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 33' ' ' ASN . . . . . 0.856 ' HA ' HG21 ' S' ' 24' ' ' ILE . 19.9 t-20 -54.4 -4.59 0.06 Allowed 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.958 0.725 . . . . 2.05 112.958 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 34' ' ' LYS . . . . . 0.636 ' O ' HG23 ' S' ' 38' ' ' VAL . 22.3 tptm -86.26 -21.32 27.45 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.606 -0.437 . . . . 1.04 111.07 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 35' ' ' ALA . . . . . 0.619 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -62.62 -35.19 78.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.18 -0.463 . . . . 0.24 111.603 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 36' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -80.99 -21.18 40.47 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.365 0.602 . . . . 0.59 110.06 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 37' ' ' GLU . . . . . 0.538 ' HB2' ' HD2' ' S' ' 34' ' ' LYS . 15.8 mm-40 -84.3 -30.0 25.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.148 -0.933 . . . . 2.24 109.544 -178.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 38' ' ' VAL . . . . . 0.636 HG23 ' O ' ' S' ' 34' ' ' LYS . 80.3 t -76.71 -46.03 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 115.44 -0.8 . . . . 0.45 109.836 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 39' ' ' ARG . . . . . 0.43 HH11 ' HB2' ' S' ' 16' ' ' ALA . 4.5 tmt_? -56.08 -36.87 68.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.035 -0.529 . . . . 1.24 110.515 179.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -75.24 -24.03 57.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.983 0.421 . . . . 0.71 110.1 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 41' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' S' ' 38' ' ' VAL . . . -63.06 -50.58 70.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.893 -0.594 . . . . 0.28 111.46 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -62.85 -46.24 96.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 121.145 0.497 . . . . 0.36 111.046 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 71.0 m -52.67 -52.17 57.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.72 -0.673 . . . . 1.24 109.64 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 66.4 m -48.73 -43.22 37.25 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.213 -0.903 . . . . 1.31 112.293 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 24.7 p -56.85 -35.08 68.45 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.965 0.412 . . . . 0.81 110.764 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 46' ' ' VAL . . . . . 0.454 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 60.4 t -75.09 -63.33 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.849 -0.614 . . . . 0.34 109.471 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . 0.67 ' O ' ' HG3' ' S' ' 4' ' ' GLU . 31.2 mt-10 -40.36 -22.52 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.177 -0.92 . . . . 2.44 112.311 178.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 71.2 m -85.79 -59.61 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.581 -0.448 . . . . 1.0 111.748 -177.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 49' ' ' ILE . . . . . 0.663 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -62.11 -19.07 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.894 0.378 . . . . 0.34 111.662 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 50' ' ' LYS . . . . . 0.77 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -79.79 -61.19 2.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.669 0.618 . . . . 1.59 112.669 -178.458 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 51' ' ' ASP . . . . . 0.77 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.3 OUTLIER -86.9 -37.71 17.4 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 115.128 1.529 . . . . 1.06 115.128 -178.061 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -79.13 -36.55 40.39 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.003 -0.679 . . . . 2.23 110.849 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 53' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.1 mm? -86.1 -7.58 58.49 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.709 -0.849 . . . . 0.66 108.709 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 54' ' ' SER . . . . . 0.511 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 33.9 t -43.07 -43.74 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.194 -1.366 . . . . 0.86 111.57 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.52 112.535 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' S' S ' 3' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 . . . . . 0 C--O 1.241 0.618 0 CA-C-O 120.851 0.358 . . . . 1.8 111.22 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' S' S ' 4' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.1 OUTLIER -75.43 -16.17 60.37 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 118.853 -1.139 . . . . 1.37 111.668 -177.248 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 5' ' ' THR . . . . . 0.526 ' O ' ' HB3' ' S' ' 9' ' ' MET . 58.5 m -61.49 -63.58 1.23 Allowed 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 118.939 -1.104 . . . . 1.04 108.583 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 6' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' S' ' 10' ' ' LYS . 5.4 ptm180 -46.68 -64.88 0.66 Allowed 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.743 -0.662 . . . . 1.95 112.013 178.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 7' ' ' ASP . . . . . 0.415 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.1 OUTLIER -68.99 -51.24 41.44 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 114.987 1.477 . . . . 1.3 114.987 -177.468 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 8' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' S' ' 12' ' ' ALA . 13.1 mm100 -81.95 -61.62 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.528 0.566 . . . . 1.34 112.528 -176.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 9' ' ' MET . . . . . 0.526 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.4 tpt -46.27 -49.52 17.26 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.615 -0.434 . . . . 1.34 111.526 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 10' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 32.6 mmmt -65.89 -44.15 86.16 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.319 0.488 . . . . 3.19 112.319 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 11' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 2.7 t-20 -83.47 -61.97 1.7 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.665 0.617 . . . . 1.27 112.665 -178.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 12' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.74 -53.8 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.722 0.296 . . . . 0.2 110.718 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 13' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' S' ' 9' ' ' MET . . . -55.09 -54.48 42.53 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.157 -0.683 . . . . 0.18 109.157 178.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 14' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -41.24 -54.93 2.83 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.671 -0.695 . . . . 0.17 112.475 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.62 -19.27 64.43 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 113.131 0.789 . . . . 1.28 113.131 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 16' ' ' ALA . . . . . 0.408 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -86.2 -30.91 22.05 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.738 0.78 . . . . 0.14 108.923 -178.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 17' ' ' LYS . . . . . 0.766 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 69.0 mmtt -78.47 -33.62 48.21 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 114.242 -1.344 . . . . 1.35 109.97 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 18' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 17.6 t70 -79.35 -27.48 41.99 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.874 -0.603 . . . . 2.14 110.229 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -87.4 -66.85 0.87 Allowed 'General case' 0 C--O 1.248 1.021 0 C-N-CA 119.426 -0.91 . . . . 2.0 111.564 -176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 20' ' ' VAL . . . . . 0.546 ' O ' HG13 ' S' ' 24' ' ' ILE . 2.6 t -84.68 -29.55 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 115.146 -0.934 . . . . 0.19 111.803 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 21' ' ' HIS . . . . . 0.766 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 2.8 t60 -83.2 -31.66 26.96 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 118.906 -1.118 . . . . 1.17 109.625 -178.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 22' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 15.9 t70 -55.62 -60.52 3.32 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 118.217 -1.393 . . . . 0.26 107.472 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -54.53 -41.58 69.86 Favored 'General case' 0 C--N 1.344 0.334 0 N-CA-C 113.036 0.754 . . . . 0.74 113.036 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 24' ' ' ILE . . . . . 0.838 HG21 ' HA ' ' S' ' 33' ' ' ASN . 69.0 mt -61.8 -66.29 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 113.146 0.795 . . . . 0.12 113.146 -177.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 25' ' ' GLN . . . . . 0.568 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 32.7 mt-30 -35.77 -56.44 0.69 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.889 0.852 . . . . 1.19 109.537 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -52.85 -64.79 0.7 Allowed 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.1 -1.409 . . . . 2.39 111.213 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 27' ' ' LEU . . . . . 0.585 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 15.4 mt -93.39 -60.35 1.8 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 116.606 2.076 . . . . 0.61 116.606 -178.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.667 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.17 -8.48 59.65 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 117.121 2.267 . . . . 1.31 117.121 -172.395 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 29' ' ' ASP . . . . . 0.568 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 18.2 t70 -34.65 -21.37 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.177 1.547 . . . . 2.17 115.177 -173.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 30' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' S' ' 28' ' ' LYS . 8.8 m-20 -88.88 -73.38 0.5 Allowed 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.4 1.0 . . . . 2.14 111.771 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 31' ' ' VAL . . . . . 0.689 HG13 ' H ' ' S' ' 32' ' ' GLY . 5.9 p -91.44 -59.23 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 113.946 1.091 . . . . 1.32 113.946 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.689 ' H ' HG13 ' S' ' 31' ' ' VAL . . . -50.86 -15.91 1.56 Allowed Glycine 0 CA--C 1.523 0.58 0 CA-C-N 115.309 -0.86 . . . . 0.19 112.594 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 33' ' ' ASN . . . . . 0.838 ' HA ' HG21 ' S' ' 24' ' ' ILE . 3.3 t30 -53.67 -3.53 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.255 0.835 . . . . 2.05 113.255 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 34' ' ' LYS . . . . . 0.55 ' O ' HG23 ' S' ' 38' ' ' VAL . 4.8 tmtp? -85.49 -21.42 28.67 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.599 -0.44 . . . . 1.04 111.24 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 35' ' ' ALA . . . . . 0.528 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -63.65 -33.56 75.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.275 -0.42 . . . . 0.24 111.942 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 36' ' ' ALA . . . . . 0.52 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -80.71 -21.54 41.13 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.477 0.656 . . . . 0.59 109.929 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 37' ' ' GLU . . . . . 0.453 ' HB2' ' HD3' ' S' ' 34' ' ' LYS . 45.3 mt-10 -83.76 -29.42 27.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.128 -0.942 . . . . 2.24 109.686 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 38' ' ' VAL . . . . . 0.55 HG23 ' O ' ' S' ' 34' ' ' LYS . 69.5 t -74.46 -42.22 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 109.0 -0.741 . . . . 0.45 109.0 178.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 39' ' ' ARG . . . . . 0.408 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 2.8 tmt_? -50.29 -49.0 54.76 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.673 -0.694 . . . . 1.24 109.867 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.86 -22.04 62.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.416 . . . . 0.71 111.368 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 41' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' S' ' 38' ' ' VAL . . . -63.74 -57.34 10.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.579 -0.282 . . . . 0.28 111.495 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 m -57.89 -46.43 87.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.181 0.515 . . . . 0.36 111.079 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 49.8 m -52.06 -51.34 58.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.401 -0.818 . . . . 1.24 109.741 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -47.71 -39.19 16.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.324 -0.853 . . . . 1.31 111.541 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 62.9 m -59.62 -40.17 86.66 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.925 0.393 . . . . 0.81 110.781 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 46' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 63.3 t -75.15 -61.31 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.838 -0.619 . . . . 0.34 109.545 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 16.4 mt-10 -39.94 -22.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.856 -1.066 . . . . 2.44 112.289 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 48' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' S' ' 52' ' ' LYS . 43.2 m -87.01 -60.24 2.03 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.663 -0.415 . . . . 1.0 110.942 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 49' ' ' ILE . . . . . 0.611 ' HA ' ' HB2' ' S' ' 53' ' ' LEU . 2.3 pp -58.65 -19.96 15.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.77 0.319 . . . . 0.34 111.629 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 50' ' ' LYS . . . . . 0.785 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -80.6 -61.37 1.99 Allowed 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.333 -0.547 . . . . 1.59 111.822 -179.197 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 51' ' ' ASP . . . . . 0.785 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.2 OUTLIER -86.38 -39.12 16.72 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 113.279 0.844 . . . . 1.06 113.279 -179.073 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 52' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' S' ' 48' ' ' SER . 5.6 tmmm? -71.42 -45.1 63.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.698 0.285 . . . . 2.23 110.456 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 53' ' ' LEU . . . . . 0.611 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 0.3 OUTLIER -82.62 -5.86 59.04 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.269 0.557 . . . . 0.66 109.578 178.758 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 54' ' ' SER . . . . . 0.499 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 35.8 t -45.11 -32.1 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.815 -1.084 . . . . 0.86 111.798 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.962 -0.637 . . . . 0.52 111.658 -179.329 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' S' S ' 3' ' ' GLN . . . . . 0.564 ' HG3' ' HD3' ' S' ' 6' ' ' ARG . 49.4 tt0 . . . . . 0 C--O 1.24 0.594 0 N-CA-C 112.545 0.572 . . . . 1.8 112.545 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 4' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 1.3 pp20? -67.46 -25.85 66.09 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 119.129 -1.028 . . . . 1.37 112.252 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 5' ' ' THR . . . . . 0.657 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 0.0 OUTLIER -59.7 -63.69 1.21 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 119.171 -1.012 . . . . 1.04 110.261 -179.737 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 6' ' ' ARG . . . . . 0.564 ' HD3' ' HG3' ' S' ' 3' ' ' GLN . 12.2 ptm180 -45.27 -65.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.932 0.715 . . . . 1.95 112.932 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 7' ' ' ASP . . . . . 0.492 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.9 OUTLIER -71.52 -46.37 59.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.822 1.416 . . . . 1.3 114.822 -177.051 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 8' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 80.2 mm-40 -83.39 -60.41 2.14 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.331 0.493 . . . . 1.34 112.331 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 9' ' ' MET . . . . . 0.657 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 0.0 OUTLIER -48.44 -49.82 33.7 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.776 -0.37 . . . . 1.34 111.59 -178.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 10' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 3.4 mmmp? -67.49 -42.37 83.01 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.429 0.529 . . . . 3.19 112.429 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 11' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 2.8 t-20 -83.23 -61.56 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.385 0.513 . . . . 1.27 112.385 -178.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.81 -53.22 7.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.849 0.357 . . . . 0.2 110.59 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.87 -53.68 49.13 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.112 -0.699 . . . . 0.18 109.112 178.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 14' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -41.07 -55.61 2.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.627 -0.715 . . . . 0.17 112.214 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -66.45 -19.01 65.68 Favored 'General case' 0 N--CA 1.461 0.08 0 N-CA-C 113.074 0.768 . . . . 1.28 113.074 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 16' ' ' ALA . . . . . 0.59 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -85.76 -31.8 22.19 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.636 0.732 . . . . 0.14 109.025 -177.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 17' ' ' LYS . . . . . 0.659 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 41.8 mmtm -78.57 -33.47 47.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.512 -1.222 . . . . 1.35 110.057 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 18' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 12.1 m-20 -77.75 -29.23 50.98 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.073 -0.512 . . . . 2.14 110.32 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -87.23 -66.2 0.93 Allowed 'General case' 0 C--O 1.248 1.012 0 C-N-CA 119.373 -0.931 . . . . 2.0 111.411 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 20' ' ' VAL . . . . . 0.564 ' O ' HG13 ' S' ' 24' ' ' ILE . 3.5 t -84.14 -31.03 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-N 115.154 -0.93 . . . . 0.19 111.94 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 21' ' ' HIS . . . . . 0.659 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 7.4 t60 -83.03 -30.91 27.71 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 118.854 -1.138 . . . . 1.17 110.049 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 22' ' ' ASP . . . . . 0.474 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 14.7 t70 -57.41 -60.59 3.41 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 118.164 -1.415 . . . . 0.26 107.722 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -53.3 -39.91 64.37 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 119.759 -0.776 . . . . 0.74 112.733 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 24' ' ' ILE . . . . . 0.929 HG21 ' HA ' ' S' ' 33' ' ' ASN . 62.2 mt -62.73 -66.59 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 113.357 0.873 . . . . 0.12 113.357 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 25' ' ' GLN . . . . . 0.618 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 7.0 mt-30 -35.86 -55.18 0.74 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.957 0.884 . . . . 1.19 109.362 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -53.3 -64.63 0.76 Allowed 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 113.971 -1.468 . . . . 2.39 111.205 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 27' ' ' LEU . . . . . 0.551 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 12.3 mt -93.53 -60.13 1.85 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.579 2.066 . . . . 0.61 116.579 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.729 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.86 -7.96 59.62 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 117.089 2.255 . . . . 1.31 117.089 -172.504 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 29' ' ' ASP . . . . . 0.618 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 20.4 t70 -34.64 -22.3 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.598 1.703 . . . . 2.17 115.598 -173.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 30' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' S' ' 28' ' ' LYS . 17.1 t70 -88.59 -74.02 0.48 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.417 1.008 . . . . 2.14 112.058 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 31' ' ' VAL . . . . . 0.699 HG13 ' H ' ' S' ' 32' ' ' GLY . 5.1 p -88.17 -58.75 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 113.462 0.912 . . . . 1.32 113.462 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.729 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -54.47 -15.99 6.48 Favored Glycine 0 C--N 1.314 -0.678 0 CA-C-N 114.948 -1.024 . . . . 0.19 112.356 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 33' ' ' ASN . . . . . 0.929 ' HA ' HG21 ' S' ' 24' ' ' ILE . 28.4 p-10 -53.66 -4.49 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.89 1.07 . . . . 2.05 113.89 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 34' ' ' LYS . . . . . 0.54 ' O ' HG23 ' S' ' 38' ' ' VAL . 1.4 tmtp? -85.11 -39.77 17.54 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.238 -0.585 . . . . 1.04 109.552 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 35' ' ' ALA . . . . . 0.609 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -39.68 -36.6 0.43 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.435 -0.802 . . . . 0.24 112.319 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 36' ' ' ALA . . . . . 0.5 ' HA ' ' HB ' ' S' ' 20' ' ' VAL . . . -66.93 -64.73 0.79 Allowed 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.992 -0.744 . . . . 0.59 108.992 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -45.1 -20.6 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.873 -0.603 . . . . 2.24 111.926 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 38' ' ' VAL . . . . . 0.54 HG23 ' O ' ' S' ' 34' ' ' LYS . 65.5 t -71.36 -52.34 27.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 110.046 -0.353 . . . . 0.45 110.046 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 39' ' ' ARG . . . . . 0.59 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 4.0 tmt_? -50.2 -33.94 21.07 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.989 -0.551 . . . . 1.24 110.367 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.38 -26.61 55.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.156 -0.474 . . . . 0.71 111.29 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.09 -52.9 63.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 0.28 111.228 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 3.5 m -64.83 -48.08 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.029 0.442 . . . . 0.36 111.492 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -53.55 -54.91 30.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.683 -0.69 . . . . 1.24 110.438 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 61.2 m -51.06 -37.51 45.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.454 -0.794 . . . . 1.31 111.535 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 52.5 m -57.7 -37.44 73.49 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.194 0.521 . . . . 0.81 110.24 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 46' ' ' VAL . . . . . 0.479 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 60.5 t -76.1 -64.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.303 -0.862 . . . . 0.34 109.712 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 2.6 mp0 -41.25 -20.87 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.271 -0.877 . . . . 2.44 112.563 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 46.7 t -86.16 -59.66 2.23 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.841 -0.344 . . . . 1.0 111.455 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 49' ' ' ILE . . . . . 0.646 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -62.93 -18.72 21.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.13 -0.487 . . . . 0.34 111.831 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 50' ' ' LYS . . . . . 0.782 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 6.0 ptpt -82.02 -60.34 2.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.983 0.734 . . . . 1.59 112.983 -178.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 51' ' ' ASP . . . . . 0.782 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.6 OUTLIER -86.53 -39.59 16.07 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 114.831 1.419 . . . . 1.06 114.831 -177.508 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -79.59 -39.44 31.67 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.06 -0.656 . . . . 2.23 110.524 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 53' ' ' LEU . . . . . 0.559 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 2.5 mm? -81.52 -7.57 59.6 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 108.774 -0.824 . . . . 0.66 108.774 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 54' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' S' ' 50' ' ' LYS . 26.5 p -43.08 -37.19 1.89 Allowed 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.258 -1.337 . . . . 0.86 111.658 -178.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.83 -0.7 . . . . 0.52 112.554 179.861 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' S' S ' 3' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 115.98 1.844 . . . . 1.8 115.98 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' S' S ' 4' ' ' GLU . . . . . 0.654 ' HB2' ' HD2' ' S' ' 50' ' ' LYS . 0.4 OUTLIER -60.6 -33.01 72.12 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 118.214 -1.394 . . . . 1.37 109.698 -179.474 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 5' ' ' THR . . . . . 0.499 ' O ' ' HB3' ' S' ' 9' ' ' MET . 59.4 m -51.7 -60.7 2.87 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.684 -0.689 . . . . 1.04 109.48 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 6' ' ' ARG . . . . . 0.474 ' O ' ' HB2' ' S' ' 10' ' ' LYS . 51.6 mtp180 -41.07 -65.93 0.38 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.843 0.683 . . . . 1.95 112.843 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -74.2 -47.53 34.9 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.041 1.126 . . . . 1.3 114.041 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 8' ' ' GLN . . . . . 0.447 ' HG3' ' HE3' ' S' ' 50' ' ' LYS . 26.0 mm-40 -80.32 -64.27 1.23 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.184 0.438 . . . . 1.34 112.184 -177.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 9' ' ' MET . . . . . 0.499 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.2 tpt -48.16 -45.9 33.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.301 0.482 . . . . 1.34 112.301 -178.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 10' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 56.8 mtpt -71.56 -42.94 67.2 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.449 -0.5 . . . . 3.19 112.237 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 11' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 57.8 t30 -78.49 -62.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.992 0.367 . . . . 1.27 111.992 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.77 -53.77 9.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.605 0.24 . . . . 0.2 110.551 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.22 -52.6 58.4 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.878 -0.786 . . . . 0.18 108.878 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 14' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -44.4 -49.33 9.73 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.562 -0.744 . . . . 0.17 111.902 177.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 15' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' S' ' 11' ' ' ASN . 17.4 mt-10 -67.95 -20.31 65.05 Favored 'General case' 0 C--N 1.337 0.064 0 N-CA-C 112.514 0.561 . . . . 1.28 112.514 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 16' ' ' ALA . . . . . 0.591 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -86.76 -31.05 21.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.702 0.763 . . . . 0.14 109.318 -177.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 17' ' ' LYS . . . . . 0.737 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 71.3 mmtt -78.4 -35.56 46.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.326 -1.307 . . . . 1.35 110.427 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 18' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 18.8 t70 -79.35 -29.51 42.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.96 -0.564 . . . . 2.14 110.586 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -87.44 -66.65 0.89 Allowed 'General case' 0 C--O 1.249 1.055 0 C-N-CA 119.272 -0.971 . . . . 2.0 111.558 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 20' ' ' VAL . . . . . 0.483 ' O ' HG13 ' S' ' 24' ' ' ILE . 2.5 t -84.07 -30.8 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 114.97 -1.014 . . . . 0.19 112.019 -177.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 21' ' ' HIS . . . . . 0.737 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.2 t-80 -82.97 -31.24 27.7 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 118.873 -1.131 . . . . 1.17 109.775 -178.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 22' ' ' ASP . . . . . 0.479 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 15.7 t70 -55.65 -60.34 3.58 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 117.992 -1.483 . . . . 0.26 107.687 178.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -40.77 78.88 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 119.477 -0.889 . . . . 0.74 113.164 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 24' ' ' ILE . . . . . 0.909 HG21 ' HA ' ' S' ' 33' ' ' ASN . 61.2 mt -59.53 -66.33 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.142 0 N-CA-C 112.738 0.644 . . . . 0.12 112.738 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 25' ' ' GLN . . . . . 0.629 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 31.2 mt-30 -35.57 -54.14 0.69 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.919 0.866 . . . . 1.19 109.355 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -54.39 -64.84 0.7 Allowed 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 113.994 -1.457 . . . . 2.39 111.061 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 27' ' ' LEU . . . . . 0.623 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 11.3 mt -93.42 -60.1 1.86 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 116.524 2.046 . . . . 0.61 116.524 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.743 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 2.4 mptp? -82.4 -8.86 59.62 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 117.538 2.422 . . . . 1.31 117.538 -172.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 29' ' ' ASP . . . . . 0.629 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 4.7 p-10 -34.22 -20.63 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.757 1.762 . . . . 2.17 115.757 -173.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 30' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' S' ' 28' ' ' LYS . 8.8 m-20 -89.02 -73.47 0.5 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.562 1.074 . . . . 2.14 111.917 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 31' ' ' VAL . . . . . 0.562 HG23 ' H ' ' S' ' 32' ' ' GLY . 1.7 m -87.96 -57.43 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 115.021 -0.99 . . . . 1.32 113.417 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.743 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -55.65 -14.78 7.6 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-N 115.502 -0.772 . . . . 0.19 112.404 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 33' ' ' ASN . . . . . 0.909 ' HA ' HG21 ' S' ' 24' ' ' ILE . 25.7 p-10 -50.25 -11.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.655 0.983 . . . . 2.05 113.655 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 34' ' ' LYS . . . . . 0.561 ' HG3' HG23 ' S' ' 38' ' ' VAL . 7.6 tptm -84.81 -29.48 25.35 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.214 -0.594 . . . . 1.04 110.813 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 35' ' ' ALA . . . . . 0.706 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -49.23 -38.45 26.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.441 -0.345 . . . . 0.24 111.682 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 36' ' ' ALA . . . . . 0.605 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -80.13 -22.67 41.83 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.729 0.776 . . . . 0.59 109.805 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 37' ' ' GLU . . . . . 0.552 ' HB2' ' HD2' ' S' ' 34' ' ' LYS . 16.8 mm-40 -84.94 -21.49 29.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.869 -1.059 . . . . 2.24 109.298 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 38' ' ' VAL . . . . . 0.561 HG23 ' HG3' ' S' ' 34' ' ' LYS . 74.3 t -71.05 -47.46 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 108.244 -1.021 . . . . 0.45 108.244 178.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 39' ' ' ARG . . . . . 0.591 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 1.6 tmt_? -60.71 -27.55 67.98 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.079 -1.082 . . . . 1.24 108.079 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.69 -23.59 56.18 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.846 -1.07 . . . . 0.71 110.244 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.71 -57.29 3.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.667 -0.697 . . . . 0.28 111.533 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 m -51.5 -46.92 36.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.012 -0.54 . . . . 0.36 111.636 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 48.3 t -54.45 -57.13 12.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.013 -0.54 . . . . 1.24 110.086 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 44.9 t -47.76 -39.31 17.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.487 -0.779 . . . . 1.31 111.547 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 45' ' ' THR . . . . . 0.418 ' O ' HG13 ' S' ' 49' ' ' ILE . 32.3 m -57.2 -37.75 72.65 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.144 0.497 . . . . 0.81 110.723 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 46' ' ' VAL . . . . . 0.421 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 97.0 t -77.06 -63.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.555 -0.748 . . . . 0.34 110.045 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 47' ' ' GLU . . . . . 0.596 ' O ' ' HG3' ' S' ' 4' ' ' GLU . 56.4 mt-10 -39.84 -23.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.21 -0.905 . . . . 2.44 112.4 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -87.36 -60.15 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.305 -0.558 . . . . 1.0 111.62 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 49' ' ' ILE . . . . . 0.608 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.2 pp -57.57 -19.97 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 CA-C-O 120.95 0.405 . . . . 0.34 111.347 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 50' ' ' LYS . . . . . 0.745 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.1 OUTLIER -78.54 -60.65 2.29 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 120.102 -0.639 . . . . 1.59 111.722 -179.318 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 51' ' ' ASP . . . . . 0.745 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 8.1 t70 -86.67 -37.23 18.2 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.0 0.741 . . . . 1.06 113.0 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 52' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -69.62 -48.58 59.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.017 0.437 . . . . 2.23 110.366 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 53' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 1.2 mm? -80.64 -6.3 58.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.875 -0.602 . . . . 0.66 110.142 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 54' ' ' SER . . . . . 0.497 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 48.3 t -45.14 -50.15 11.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.987 -1.006 . . . . 0.86 111.434 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.958 -0.639 . . . . 0.52 112.215 -179.638 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . 0.753 ' HG2' HD22 ' S' ' 66' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.649 0.261 . . . . 1.42 110.699 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 2' ' ' ASP . . . . . 0.465 ' HB3' ' OD1' ' S' ' 51' ' ' ASP . 37.9 t70 -105.98 -110.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.939 0.718 . . . . 1.97 112.939 -177.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 3' ' ' GLN . . . . . 0.704 ' HA ' ' HB3' ' S' ' 60' ' ' ARG . 35.6 tt0 -80.33 -14.07 58.67 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 113.104 0.779 . . . . 1.8 113.104 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 4' ' ' GLU . . . . . 0.649 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.3 OUTLIER -70.93 -17.69 62.68 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 118.862 -1.135 . . . . 1.37 111.928 -177.11 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 5' ' ' THR . . . . . 0.454 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 73.0 m -63.5 -63.88 1.06 Allowed 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 119.229 -0.989 . . . . 1.04 108.94 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 6' ' ' ARG . . . . . 0.564 ' HD2' ' HB2' ' S' ' 60' ' ' ARG . 12.2 ptm180 -46.86 -63.67 0.97 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.443 0.534 . . . . 1.95 112.443 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -49.98 64.49 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 114.625 1.343 . . . . 1.3 114.625 -177.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 8' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 11.7 mm100 -83.51 -58.13 2.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.723 0.638 . . . . 1.34 112.723 -176.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 9' ' ' MET . . . . . 0.454 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 0.2 OUTLIER -47.0 -51.62 16.73 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.399 -0.52 . . . . 1.34 111.459 -178.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 10' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 2.7 mtmt -66.08 -44.84 83.28 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.484 0.55 . . . . 3.19 112.484 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 11' ' ' ASN . . . . . 0.43 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 2.9 t-20 -78.86 -61.91 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.289 0.477 . . . . 1.27 112.289 -178.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.93 -53.38 7.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.2 110.694 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.21 -54.92 37.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.114 -0.698 . . . . 0.18 109.114 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 14' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -40.72 -57.35 1.93 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.67 -0.695 . . . . 0.17 112.256 178.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.57 -19.37 65.89 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 113.072 0.767 . . . . 1.28 113.072 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 16' ' ' ALA . . . . . 0.551 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -86.28 -32.42 21.09 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.622 0.725 . . . . 0.14 109.14 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 17' ' ' LYS . . . . . 0.684 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 70.8 mmtt -78.82 -33.32 46.21 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 114.589 -1.187 . . . . 1.35 110.156 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 18' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 30.3 m-20 -78.06 -28.1 48.82 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.256 -0.578 . . . . 2.14 110.031 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -87.35 -66.22 0.93 Allowed 'General case' 0 C--O 1.248 0.995 0 C-N-CA 119.332 -0.947 . . . . 2.0 111.422 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 20' ' ' VAL . . . . . 0.536 ' O ' HG13 ' S' ' 24' ' ' ILE . 3.0 t -84.39 -30.44 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 CA-C-N 114.967 -1.015 . . . . 0.19 112.008 -177.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 21' ' ' HIS . . . . . 0.684 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 2.2 t-160 -83.02 -31.49 27.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 118.907 -1.117 . . . . 1.17 109.665 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 22' ' ' ASP . . . . . 0.479 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 19.7 t70 -56.48 -60.25 3.8 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 118.136 -1.425 . . . . 0.26 107.813 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -54.86 -39.75 68.95 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 119.848 -0.741 . . . . 0.74 112.952 176.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 24' ' ' ILE . . . . . 0.896 HG21 ' HA ' ' S' ' 33' ' ' ASN . 67.7 mt -62.48 -66.65 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 113.025 0.75 . . . . 0.12 113.025 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 25' ' ' GLN . . . . . 0.592 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 5.4 mt-30 -36.05 -56.03 0.75 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.956 0.884 . . . . 1.19 109.488 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -52.56 -64.52 0.79 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.125 -1.398 . . . . 2.39 111.205 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.63 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 10.1 mt -93.23 -60.4 1.8 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 116.507 2.04 . . . . 0.61 116.507 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.765 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.82 -7.94 59.62 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 117.224 2.305 . . . . 1.31 117.224 -172.677 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 29' ' ' ASP . . . . . 0.592 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 17.1 t70 -34.43 -21.55 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.788 1.773 . . . . 2.17 115.788 -173.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 30' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' S' ' 28' ' ' LYS . 18.0 t70 -87.99 -73.78 0.47 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.793 1.179 . . . . 2.14 111.818 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 31' ' ' VAL . . . . . 0.687 HG13 ' H ' ' S' ' 32' ' ' GLY . 5.8 p -88.06 -58.42 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 113.615 0.969 . . . . 1.32 113.615 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.765 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -51.92 -15.96 2.66 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-N 114.98 -1.009 . . . . 0.19 112.769 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 33' ' ' ASN . . . . . 0.896 ' HA ' HG21 ' S' ' 24' ' ' ILE . 57.9 t30 -50.63 -5.14 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.261 0.838 . . . . 2.05 113.261 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 34' ' ' LYS . . . . . 0.574 ' O ' HG23 ' S' ' 38' ' ' VAL . 4.4 tmtp? -85.73 -40.64 15.88 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.133 -0.627 . . . . 1.04 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 35' ' ' ALA . . . . . 0.583 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -39.69 -36.81 0.45 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.541 -0.754 . . . . 0.24 111.899 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 36' ' ' ALA . . . . . 0.439 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -70.04 -65.43 0.72 Allowed 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.177 -0.675 . . . . 0.59 109.177 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -43.95 -21.71 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.092 -0.503 . . . . 2.24 112.227 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 38' ' ' VAL . . . . . 0.574 HG23 ' O ' ' S' ' 34' ' ' LYS . 97.0 t -73.21 -51.38 26.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.861 0.362 . . . . 0.45 110.355 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 39' ' ' ARG . . . . . 0.551 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 4.2 tmt_? -48.94 -40.12 29.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.93 -0.577 . . . . 1.24 110.696 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -75.71 -22.02 57.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.71 111.528 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.38 -57.09 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.754 0.312 . . . . 0.28 111.174 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 42' ' ' VAL . . . . . 0.406 HG23 ' N ' ' S' ' 43' ' ' SER . 3.6 m -61.72 -47.11 94.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.148 0.499 . . . . 0.36 111.38 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 43' ' ' SER . . . . . 0.406 ' N ' HG23 ' S' ' 42' ' ' VAL . 39.4 t -52.37 -52.17 54.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.402 -0.817 . . . . 1.24 109.926 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -49.68 -41.04 42.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.341 -0.845 . . . . 1.31 111.849 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 86.5 m -56.77 -39.68 74.49 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.17 0.509 . . . . 0.81 110.916 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 46' ' ' VAL . . . . . . . . . . . . . 90.6 t -74.68 -63.33 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.609 -0.723 . . . . 0.34 109.545 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . 0.841 ' HB3' HD21 ' S' ' 66' ' ' LEU . 0.9 OUTLIER -45.25 -18.95 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.108 -0.951 . . . . 2.44 112.386 178.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 48' ' ' SER . . . . . 0.642 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 63.4 m -82.34 -59.84 2.41 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.132 -0.627 . . . . 1.0 110.067 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 49' ' ' ILE . . . . . 0.56 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.6 pp -63.91 -18.77 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.55 -0.75 . . . . 0.34 111.434 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 50' ' ' LYS . . . . . 0.714 ' HG3' ' N ' ' S' ' 51' ' ' ASP . 13.1 ptmt -75.5 -62.08 1.69 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.608 0.595 . . . . 1.59 112.608 -178.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 51' ' ' ASP . . . . . 0.714 ' N ' ' HG3' ' S' ' 50' ' ' LYS . 0.3 OUTLIER -88.41 -38.88 14.71 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 115.077 1.51 . . . . 1.06 115.077 -176.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 52' ' ' LYS . . . . . 0.578 ' HB2' ' HA ' ' S' ' 1' ' ' MET . 35.7 ttmt -76.17 -40.76 51.73 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.249 -0.58 . . . . 2.23 110.463 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 53' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.3 mm? -83.15 -8.2 59.53 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 109.167 -0.679 . . . . 0.66 109.167 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 54' ' ' SER . . . . . 0.492 ' HB3' ' HA ' ' S' ' 51' ' ' ASP . 15.7 p -43.72 -37.88 2.88 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.524 -1.216 . . . . 0.86 111.662 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.5 -29.4 2.69 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.852 -0.689 . . . . 0.52 112.516 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -161.53 124.38 1.31 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.881 -0.676 . . . . 1.13 112.327 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 77.3 p -109.26 113.29 26.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.89 0.376 . . . . 1.29 111.043 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 47.3 t -139.23 -29.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 1.95 110.848 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 59' ' ' SER . . . . . 0.489 ' C ' ' H ' ' S' ' 61' ' ' ALA . 60.4 m -99.0 125.36 44.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.202 -0.454 . . . . 1.28 110.821 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . 0.704 ' HB3' ' HA ' ' S' ' 3' ' ' GLN . 28.0 tpt180 69.59 -16.55 0.26 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.269 -0.423 . . . . 2.56 111.745 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 61' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' S' ' 59' ' ' SER . . . -49.04 -18.87 0.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.244 0.461 . . . . 1.1 112.244 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 48.0 t -68.48 -1.81 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.564 -0.289 . . . . 1.67 111.18 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 89.1 p -116.58 125.77 52.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 2.31 111.081 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -113.92 118.15 33.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 6.01 110.486 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 65' ' ' THR . . . . . 0.429 ' OG1' ' HG3' ' S' ' 9' ' ' MET . 66.2 p -135.28 -60.27 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.366 -0.379 . . . . 1.64 111.749 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . 0.841 HD21 ' HB3' ' S' ' 47' ' ' GLU . 9.8 mp -45.96 -59.63 2.72 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.935 0.397 . . . . 1.83 110.656 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.207 -0.901 . . . . 3.55 110.885 179.739 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . 0.596 ' SD ' ' HA ' ' S' ' 48' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.968 0.413 . . . . 1.42 111.052 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 2' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' S' ' 51' ' ' ASP . 41.3 t0 -95.29 -120.46 0.1 Allowed 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.83 -0.623 . . . . 1.97 111.755 -178.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 3' ' ' GLN . . . . . 0.564 ' HB3' ' HB2' ' S' ' 59' ' ' SER . 29.4 pt20 -80.71 -11.54 59.61 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 112.389 0.514 . . . . 1.8 112.389 -178.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 4' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.8 OUTLIER -61.19 -25.59 67.14 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 118.986 -1.086 . . . . 1.37 111.954 -176.451 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 5' ' ' THR . . . . . 0.54 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 99.4 m -59.36 -63.02 1.45 Allowed 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.298 -0.961 . . . . 1.04 109.33 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 6' ' ' ARG . . . . . 0.461 ' HG3' ' HG3' ' S' ' 60' ' ' ARG . 47.6 mtp180 -42.88 -66.47 0.37 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.879 -0.6 . . . . 1.95 112.573 179.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.08 -49.65 42.27 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 115.0 1.481 . . . . 1.3 115.0 -177.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 8' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 13.0 mm100 -82.7 -60.23 2.25 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.377 0.51 . . . . 1.34 112.377 -176.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 9' ' ' MET . . . . . 0.576 ' HG2' HG21 ' S' ' 65' ' ' THR . 13.3 tpt -48.08 -48.11 33.66 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.492 -0.483 . . . . 1.34 111.573 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 10' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 60.6 mtpt -67.84 -41.05 83.55 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.317 0.488 . . . . 3.19 112.317 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 11' ' ' ASN . . . . . 0.457 HD22 ' C ' ' S' ' 11' ' ' ASN . 0.2 OUTLIER -83.39 -61.95 1.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.216 0.45 . . . . 1.27 112.216 -178.527 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.45 -52.8 7.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.854 0.359 . . . . 0.2 110.634 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.12 -55.16 34.24 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.107 -0.701 . . . . 0.18 109.107 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 14' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -40.9 -54.38 2.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.574 -0.739 . . . . 0.17 112.521 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -68.48 -19.41 64.54 Favored 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 113.463 0.912 . . . . 1.28 113.463 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 16' ' ' ALA . . . . . 0.465 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -85.59 -31.86 22.4 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-O 121.644 0.735 . . . . 0.14 109.105 -177.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 17' ' ' LYS . . . . . 0.715 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 31.3 mmtp -78.91 -32.41 45.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.498 -1.228 . . . . 1.35 110.17 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 18' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 17.5 t70 -78.27 -29.47 48.0 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.066 -0.515 . . . . 2.14 110.327 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -87.51 -65.33 1.03 Allowed 'General case' 0 C--O 1.248 1.007 0 C-N-CA 119.449 -0.9 . . . . 2.0 111.575 -177.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 20' ' ' VAL . . . . . 0.53 ' O ' HG13 ' S' ' 24' ' ' ILE . 2.1 t -83.97 -30.62 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 CA-C-N 115.107 -0.951 . . . . 0.19 112.152 -177.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 21' ' ' HIS . . . . . 0.715 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.3 t-80 -82.51 -31.95 28.96 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 118.855 -1.138 . . . . 1.17 109.63 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 22' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 23.6 t70 -55.79 -61.04 2.63 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 118.24 -1.384 . . . . 0.26 107.766 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 23' ' ' LYS . . . . . 0.445 ' HE3' ' HE2' ' S' ' 28' ' ' LYS . 17.3 ptmt -55.33 -41.98 73.19 Favored 'General case' 0 C--N 1.344 0.332 0 N-CA-C 113.196 0.813 . . . . 0.74 113.196 176.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 24' ' ' ILE . . . . . 0.852 HG21 ' HA ' ' S' ' 33' ' ' ASN . 67.9 mt -60.81 -66.21 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 113.038 0.755 . . . . 0.12 113.038 -177.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 25' ' ' GLN . . . . . 0.597 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 21.2 mt-30 -36.02 -55.24 0.76 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.858 0.837 . . . . 1.19 109.423 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -53.55 -64.82 0.7 Allowed 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.043 -1.435 . . . . 2.39 111.169 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.548 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 11.7 mt -93.35 -60.38 1.8 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 116.628 2.085 . . . . 0.61 116.628 -178.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.71 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 1.9 mptp? -81.95 -8.22 59.66 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 117.093 2.257 . . . . 1.31 117.093 -172.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 29' ' ' ASP . . . . . 0.597 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 17.9 t70 -34.25 -22.78 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 115.587 1.699 . . . . 2.17 115.587 -173.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 30' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' S' ' 28' ' ' LYS . 10.4 m-20 -88.3 -73.58 0.49 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.592 1.087 . . . . 2.14 111.78 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 31' ' ' VAL . . . . . 0.594 HG23 ' H ' ' S' ' 32' ' ' GLY . 2.4 m -89.29 -58.41 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 113.862 1.06 . . . . 1.32 113.862 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.71 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -52.47 -15.96 3.26 Favored Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.556 -0.747 . . . . 0.19 112.749 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 33' ' ' ASN . . . . . 0.852 ' HA ' HG21 ' S' ' 24' ' ' ILE . 11.2 t-20 -52.95 -3.63 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.302 0.853 . . . . 2.05 113.302 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 34' ' ' LYS . . . . . 0.447 ' O ' HG23 ' S' ' 38' ' ' VAL . 5.4 tmtp? -84.84 -30.76 24.24 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.474 -0.49 . . . . 1.04 110.97 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 35' ' ' ALA . . . . . 0.536 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -53.92 -34.08 58.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.24 112.113 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 36' ' ' ALA . . . . . 0.558 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -80.62 -21.83 41.15 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.525 0.678 . . . . 0.59 109.995 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -83.46 -28.96 28.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.051 -0.977 . . . . 2.24 109.788 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 38' ' ' VAL . . . . . 0.447 HG23 ' O ' ' S' ' 34' ' ' LYS . 97.6 t -75.23 -43.19 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.546 -0.752 . . . . 0.45 109.51 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 39' ' ' ARG . . . . . 0.465 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 2.6 tmt_? -52.47 -48.14 66.06 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.789 -0.641 . . . . 1.24 109.998 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -71.4 -21.73 61.96 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.417 -0.356 . . . . 0.71 111.093 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 41' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' S' ' 38' ' ' VAL . . . -64.76 -57.3 9.32 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.376 -0.374 . . . . 0.28 111.449 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 m -56.67 -45.61 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.035 0.445 . . . . 0.36 111.165 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 58.8 m -53.44 -54.22 40.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.468 -0.787 . . . . 1.24 110.03 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 57.9 m -49.96 -39.33 40.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.361 -0.836 . . . . 1.31 111.812 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 51.4 m -58.32 -38.77 77.78 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.183 0.516 . . . . 0.81 110.629 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 46' ' ' VAL . . . . . 0.492 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 59.7 t -74.03 -63.75 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.46 -0.791 . . . . 0.34 109.326 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 6.2 mt-10 -40.56 -20.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.91 -1.041 . . . . 2.44 112.71 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 48' ' ' SER . . . . . 0.596 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 70.1 m -86.15 -59.97 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.745 -0.382 . . . . 1.0 111.476 -177.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 49' ' ' ILE . . . . . 0.624 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.4 pp -63.49 -19.44 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.22 -0.445 . . . . 0.34 111.884 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 50' ' ' LYS . . . . . 0.767 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -80.36 -60.86 2.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.769 0.655 . . . . 1.59 112.769 -178.572 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 51' ' ' ASP . . . . . 0.767 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.5 OUTLIER -85.82 -37.93 18.69 Favored 'General case' 0 N--CA 1.461 0.093 0 N-CA-C 114.61 1.337 . . . . 1.06 114.61 -177.761 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 52' ' ' LYS . . . . . 0.5 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 36.8 ttmt -79.25 -36.1 40.42 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.835 -0.746 . . . . 2.23 110.524 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 53' ' ' LEU . . . . . 0.586 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 0.3 OUTLIER -85.55 -5.94 59.23 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.72 -0.844 . . . . 0.66 108.72 177.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 54' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 41.5 t -44.13 -39.96 4.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.659 -1.155 . . . . 0.86 111.217 179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.12 -26.1 3.43 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.863 -0.684 . . . . 0.52 112.322 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -170.69 108.38 0.29 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.766 -0.73 . . . . 1.13 112.611 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -85.61 135.59 33.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.565 0.221 . . . . 1.29 110.496 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 47.8 t -141.91 -39.24 0.38 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.93 0.344 . . . . 1.95 111.93 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 59' ' ' SER . . . . . 0.564 ' HB2' ' HB3' ' S' ' 3' ' ' GLN . 68.7 m -63.62 -103.36 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.728 -0.214 . . . . 1.28 111.3 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . 0.618 ' HD2' ' HB3' ' S' ' 63' ' ' SER . 0.1 OUTLIER -85.56 47.83 1.49 Allowed 'General case' 0 N--CA 1.457 -0.101 0 CA-C-O 120.972 0.415 . . . . 2.56 110.62 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.86 69.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.064 -0.516 . . . . 1.1 111.787 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 44.7 t -71.45 -1.77 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 1.67 111.544 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . 0.618 ' HB3' ' HD2' ' S' ' 60' ' ' ARG . 94.3 p -60.67 170.27 1.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.971 0.415 . . . . 2.31 111.493 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -172.35 73.51 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.834 -0.621 . . . . 6.01 110.332 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 65' ' ' THR . . . . . 0.576 HG21 ' HG2' ' S' ' 9' ' ' MET . 73.0 p -122.67 -63.88 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.429 -0.35 . . . . 1.64 111.792 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' S' ' 47' ' ' GLU . 1.2 mt -60.01 -59.15 5.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 1.83 110.713 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.31 -0.853 . . . . 3.55 110.895 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . 0.606 ' SD ' ' HA ' ' S' ' 48' ' ' SER . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.935 0.397 . . . . 1.42 111.144 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 2' ' ' ASP . . . . . 0.599 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 36.1 t70 -89.14 -121.64 0.05 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.826 -0.624 . . . . 1.97 110.749 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 3' ' ' GLN . . . . . 0.514 ' HA ' ' HB3' ' S' ' 60' ' ' ARG . 27.9 pt20 -80.05 -12.42 59.69 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 111.749 0.278 . . . . 1.8 111.749 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 4' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.9 OUTLIER -62.64 -25.09 67.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 119.01 -1.076 . . . . 1.37 111.55 -176.649 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 5' ' ' THR . . . . . 0.503 ' HA ' ' HB2' ' S' ' 9' ' ' MET . 1.1 p -58.77 -63.69 1.2 Allowed 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 119.753 -0.779 . . . . 1.04 109.68 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 6' ' ' ARG . . . . . 0.636 ' HD3' ' HB2' ' S' ' 60' ' ' ARG . 35.7 mtm180 -43.29 -66.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.004 0.742 . . . . 1.95 113.004 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -73.27 -45.89 53.15 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 114.929 1.455 . . . . 1.3 114.929 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 8' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 15.0 mm-40 -82.29 -60.81 2.08 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.489 -0.484 . . . . 1.34 112.161 -177.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 9' ' ' MET . . . . . 0.503 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 12.1 tpt -48.11 -48.28 33.95 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.036 0.384 . . . . 1.34 112.036 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 10' ' ' LYS . . . . . 0.556 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 0.6 OUTLIER -69.0 -40.72 78.55 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.462 0.542 . . . . 3.19 112.462 -179.427 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 11' ' ' ASN . . . . . 0.479 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 21.6 t-20 -82.96 -61.67 1.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.203 0.446 . . . . 1.27 112.203 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.93 -52.7 8.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.2 110.592 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.71 -54.09 42.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.231 -0.655 . . . . 0.18 109.231 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 14' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -40.94 -53.64 2.9 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.468 -0.787 . . . . 0.17 112.321 178.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -68.78 -19.33 64.3 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 113.278 0.844 . . . . 1.28 113.278 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.07 -33.24 21.02 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.572 0.701 . . . . 0.14 109.284 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 17' ' ' LYS . . . . . 0.678 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 41.9 mmtm -78.81 -33.07 46.45 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.515 -1.22 . . . . 1.35 110.128 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 18' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 17.2 t70 -77.52 -29.57 52.48 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.163 0.506 . . . . 2.14 109.98 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 19' ' ' ASN . . . . . 0.497 HD22 ' N ' ' S' ' 19' ' ' ASN . 0.9 OUTLIER -87.44 -65.54 1.0 Allowed 'General case' 0 C--O 1.247 0.973 0 C-N-CA 119.545 -0.862 . . . . 2.0 111.444 -177.004 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 20' ' ' VAL . . . . . 0.47 ' O ' HG13 ' S' ' 24' ' ' ILE . 1.9 t -84.6 -30.49 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 115.246 -0.888 . . . . 0.19 112.383 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 21' ' ' HIS . . . . . 0.678 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 5.6 t60 -82.66 -30.43 29.31 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 119.025 -1.07 . . . . 1.17 109.684 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 22' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 20.5 t70 -58.29 -60.57 3.56 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 118.066 -1.454 . . . . 0.26 107.555 178.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 23' ' ' LYS . . . . . 0.412 ' HE3' ' HE3' ' S' ' 28' ' ' LYS . 19.0 ptmt -55.41 -44.06 75.86 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 113.5 0.926 . . . . 0.74 113.5 176.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 24' ' ' ILE . . . . . 0.811 HG21 ' HA ' ' S' ' 33' ' ' ASN . 67.7 mt -59.33 -66.19 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 N-CA-C 112.751 0.648 . . . . 0.12 112.751 -177.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 25' ' ' GLN . . . . . 0.592 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 2.5 mt-30 -35.81 -56.08 0.71 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.928 0.871 . . . . 1.19 109.573 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -52.41 -64.95 0.65 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.095 -1.411 . . . . 2.39 111.276 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.543 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 16.8 mt -93.43 -60.05 1.87 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 116.476 2.028 . . . . 0.61 116.476 -178.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.732 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.25 -7.97 59.63 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 117.103 2.26 . . . . 1.31 117.103 -172.635 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 29' ' ' ASP . . . . . 0.592 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 19.9 t70 -34.05 -22.13 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.365 1.617 . . . . 2.17 115.365 -173.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 30' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' S' ' 28' ' ' LYS . 11.3 m-20 -88.42 -73.47 0.49 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.565 1.075 . . . . 2.14 111.853 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 31' ' ' VAL . . . . . 0.589 HG23 ' H ' ' S' ' 32' ' ' GLY . 2.3 m -89.43 -58.24 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 113.929 1.085 . . . . 1.32 113.929 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.732 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -51.47 -15.58 1.98 Allowed Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.593 -0.731 . . . . 0.19 112.787 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 33' ' ' ASN . . . . . 0.811 ' HA ' HG21 ' S' ' 24' ' ' ILE . 2.8 t-20 -52.76 -4.28 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.144 0.794 . . . . 2.05 113.144 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 34' ' ' LYS . . . . . 0.647 ' O ' HG23 ' S' ' 38' ' ' VAL . 19.2 tptm -86.14 -20.58 28.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.102 -0.373 . . . . 1.04 111.222 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 35' ' ' ALA . . . . . 0.588 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -64.73 -35.49 81.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.474 -0.33 . . . . 0.24 111.468 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 36' ' ' ALA . . . . . 0.504 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -81.53 -22.25 38.03 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.596 0.712 . . . . 0.59 109.712 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 37' ' ' GLU . . . . . 0.562 ' HB2' ' HD2' ' S' ' 34' ' ' LYS . 11.3 mm-40 -83.0 -32.23 27.06 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.87 -1.059 . . . . 2.24 109.75 -178.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 38' ' ' VAL . . . . . 0.647 HG23 ' O ' ' S' ' 34' ' ' LYS . 64.5 t -72.02 -42.16 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 108.857 -0.794 . . . . 0.45 108.857 178.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -50.19 -47.75 54.45 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.276 -0.874 . . . . 1.24 109.898 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.42 -22.12 62.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.316 -0.402 . . . . 0.71 111.473 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.66 -57.37 7.31 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.758 0.281 . . . . 0.28 111.758 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -57.49 -46.69 85.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.13 0.491 . . . . 0.36 111.001 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 50.9 m -55.68 -53.65 54.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.401 -0.818 . . . . 1.24 109.909 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 44' ' ' SER . . . . . 0.44 ' HB2' ' HB3' ' S' ' 66' ' ' LEU . 8.5 p -48.38 -40.33 25.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.505 -0.77 . . . . 1.31 111.437 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 45' ' ' THR . . . . . 0.458 ' O ' HG13 ' S' ' 49' ' ' ILE . 88.1 m -59.41 -37.6 78.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.958 0.409 . . . . 0.81 110.929 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 46' ' ' VAL . . . . . . . . . . . . . 90.3 t -77.4 -64.41 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.742 -0.663 . . . . 0.34 110.217 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . 0.65 ' HB3' HD11 ' S' ' 66' ' ' LEU . 0.6 OUTLIER -44.91 -18.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.451 -0.795 . . . . 2.44 112.425 178.754 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 48' ' ' SER . . . . . 0.606 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 45.3 t -86.53 -60.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.669 -0.412 . . . . 1.0 111.667 -177.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 49' ' ' ILE . . . . . 0.7 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -62.45 -19.56 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.502 . . . . 0.34 111.736 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 50' ' ' LYS . . . . . 0.7 ' N ' HD12 ' S' ' 49' ' ' ILE . 0.0 OUTLIER -80.84 -59.41 2.68 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.806 0.669 . . . . 1.59 112.806 -178.348 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 51' ' ' ASP . . . . . 0.409 ' OD2' ' HB3' ' S' ' 4' ' ' GLU . 0.3 OUTLIER -85.94 -39.4 16.96 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 114.585 1.328 . . . . 1.06 114.585 -178.242 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 52' ' ' LYS . . . . . 0.51 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 40.2 ttpt -77.16 -44.24 30.98 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.168 -0.613 . . . . 2.23 110.567 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 53' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.1 mm? -79.67 -5.31 54.88 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.474 0.654 . . . . 0.66 109.272 178.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 54' ' ' SER . . . . . 0.49 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 37.2 t -42.96 -39.69 2.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.458 -1.247 . . . . 0.86 111.6 -179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.79 -22.64 5.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.52 112.771 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.26 87.08 0.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.654 -0.784 . . . . 1.13 112.67 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 81.4 p -83.32 109.8 17.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.308 . . . . 1.29 110.785 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 47.1 t -127.67 -20.35 3.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 1.95 111.281 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 59' ' ' SER . . . . . . . . . . . . . 73.5 m -67.98 -97.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.522 -0.308 . . . . 1.28 110.998 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . 0.636 ' HB2' ' HD3' ' S' ' 6' ' ' ARG . 25.0 tpt180 -97.65 46.63 1.02 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 121.212 0.53 . . . . 2.56 110.523 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.99 -3.58 33.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.991 -0.55 . . . . 1.1 111.853 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 83.5 p -89.18 -1.55 58.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.44 -0.345 . . . . 1.67 111.731 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . 0.418 ' OG ' ' HG3' ' S' ' 60' ' ' ARG . 69.2 p -118.83 119.31 34.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 2.31 111.772 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -108.95 131.72 54.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.92 -0.582 . . . . 6.01 109.917 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 65' ' ' THR . . . . . 0.499 HG21 ' HG2' ' S' ' 9' ' ' MET . 34.1 p -137.87 -60.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.831 0.308 . . . . 1.64 111.831 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . 0.65 HD11 ' HB3' ' S' ' 47' ' ' GLU . 3.6 mt -57.2 -37.26 71.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 1.83 110.821 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.18 -0.914 . . . . 3.55 110.876 179.752 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . 0.683 ' SD ' HD12 ' S' ' 66' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.79 0.328 . . . . 1.42 111.123 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 2' ' ' ASP . . . . . 0.571 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 38.8 t70 -87.82 -111.62 0.06 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.117 -0.492 . . . . 1.97 110.391 -178.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 3' ' ' GLN . . . . . 0.585 ' HA ' ' HB3' ' S' ' 60' ' ' ARG . 20.7 tm0? -80.0 -14.5 58.52 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 120.856 0.36 . . . . 1.8 111.351 -179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 4' ' ' GLU . . . . . 0.619 ' HG3' ' HB3' ' S' ' 1' ' ' MET . 0.2 OUTLIER -74.4 -17.97 60.73 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 118.892 -1.123 . . . . 1.37 111.827 -176.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 5' ' ' THR . . . . . 0.539 ' O ' ' HB3' ' S' ' 9' ' ' MET . 87.9 m -60.27 -63.76 1.19 Allowed 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 119.19 -1.004 . . . . 1.04 108.835 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 6' ' ' ARG . . . . . 0.596 ' HD2' ' HB2' ' S' ' 60' ' ' ARG . 14.3 ptm180 -48.48 -63.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.0 -0.545 . . . . 1.95 112.451 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 7' ' ' ASP . . . . . 0.445 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.2 OUTLIER -68.62 -50.26 52.81 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 114.705 1.372 . . . . 1.3 114.705 -177.04 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 8' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 13.6 mm100 -82.96 -62.37 1.62 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.673 0.62 . . . . 1.34 112.673 -176.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 9' ' ' MET . . . . . 0.539 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.2 tpt -46.25 -47.57 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.688 -0.405 . . . . 1.34 111.88 -178.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 10' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 0.2 OUTLIER -68.51 -43.68 76.29 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 112.395 0.517 . . . . 3.19 112.395 -179.745 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 11' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 5.5 t30 -80.71 -61.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.29 0.478 . . . . 1.27 112.29 -178.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.88 -53.28 7.73 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.852 0.358 . . . . 0.2 110.527 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.03 47.11 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.095 -0.705 . . . . 0.18 109.095 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 14' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -41.41 -54.08 3.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.63 -0.714 . . . . 0.17 112.439 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -68.68 -19.16 64.37 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 113.009 0.744 . . . . 1.28 113.009 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 16' ' ' ALA . . . . . 0.477 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -86.32 -32.98 20.74 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.752 0.787 . . . . 0.14 109.071 -178.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 17' ' ' LYS . . . . . 0.701 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 30.8 mmtp -78.27 -33.1 49.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.338 -1.301 . . . . 1.35 109.94 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 18' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 18.6 t70 -78.63 -29.05 45.66 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.818 -0.628 . . . . 2.14 109.978 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -87.59 -65.51 1.01 Allowed 'General case' 0 C--O 1.247 0.961 0 C-N-CA 119.573 -0.851 . . . . 2.0 111.206 -177.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 20' ' ' VAL . . . . . 0.516 ' O ' HG13 ' S' ' 24' ' ' ILE . 2.1 t -84.11 -31.44 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.727 0 CA-C-N 115.06 -0.973 . . . . 0.19 112.141 -177.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 21' ' ' HIS . . . . . 0.701 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.1 t-160 -82.61 -31.91 28.65 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 118.957 -1.097 . . . . 1.17 109.899 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 22' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 15.3 t70 -55.85 -60.62 3.2 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 118.006 -1.478 . . . . 0.26 107.459 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -54.73 -43.29 72.5 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 113.269 0.84 . . . . 0.74 113.269 176.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 24' ' ' ILE . . . . . 0.853 HG21 ' HA ' ' S' ' 33' ' ' ASN . 73.0 mt -60.95 -66.54 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 113.224 0.824 . . . . 0.12 113.224 -177.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 25' ' ' GLN . . . . . 0.577 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 15.4 mt-30 -35.96 -54.9 0.76 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.916 0.865 . . . . 1.19 109.567 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -54.2 -64.97 0.66 Allowed 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.072 -1.422 . . . . 2.39 111.201 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.611 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 12.9 mt -93.24 -60.4 1.8 Allowed 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 116.593 2.072 . . . . 0.61 116.593 -178.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.744 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.23 -7.86 59.63 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 117.089 2.255 . . . . 1.31 117.089 -172.622 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 29' ' ' ASP . . . . . 0.577 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 20.4 t70 -34.28 -21.34 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.42 1.637 . . . . 2.17 115.42 -173.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 30' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' S' ' 28' ' ' LYS . 4.8 m-20 -88.43 -73.32 0.5 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.568 1.076 . . . . 2.14 111.674 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 31' ' ' VAL . . . . . 0.579 HG23 ' H ' ' S' ' 32' ' ' GLY . 2.1 m -89.92 -58.28 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 113.998 1.11 . . . . 1.32 113.998 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.744 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -52.65 -15.88 3.4 Favored Glycine 0 CA--C 1.522 0.516 0 CA-C-N 115.54 -0.754 . . . . 0.19 112.91 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 33' ' ' ASN . . . . . 0.853 ' HA ' HG21 ' S' ' 24' ' ' ILE . 64.8 t30 -53.14 -3.59 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.328 0.862 . . . . 2.05 113.328 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 34' ' ' LYS . . . . . 0.533 ' O ' HG23 ' S' ' 38' ' ' VAL . 5.2 tmtp? -84.24 -32.49 24.45 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.27 -0.572 . . . . 1.04 110.965 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 35' ' ' ALA . . . . . 0.499 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -53.09 -32.56 47.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.36 0.504 . . . . 0.24 112.36 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 36' ' ' ALA . . . . . 0.523 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -80.89 -22.43 39.8 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.396 0.617 . . . . 0.59 110.317 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 37' ' ' GLU . . . . . 0.425 ' HB2' ' HD3' ' S' ' 34' ' ' LYS . 37.4 mt-10 -84.09 -27.01 28.54 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.207 -0.906 . . . . 2.24 109.476 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 38' ' ' VAL . . . . . 0.533 HG23 ' O ' ' S' ' 34' ' ' LYS . 77.9 t -75.53 -44.75 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.477 -0.783 . . . . 0.45 109.405 178.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 39' ' ' ARG . . . . . 0.477 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 2.5 tmt_? -51.33 -49.12 61.98 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.622 -0.717 . . . . 1.24 110.254 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -70.88 -21.8 62.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.373 -0.376 . . . . 0.71 111.231 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.93 -57.43 6.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.436 -0.347 . . . . 0.28 111.863 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -56.58 -46.22 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.175 0.512 . . . . 0.36 111.038 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 39.7 t -52.86 -51.14 62.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.369 -0.832 . . . . 1.24 109.883 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 6.8 p -49.14 -37.94 23.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.448 -0.796 . . . . 1.31 111.436 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 71.1 m -59.79 -40.01 86.87 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.99 0.424 . . . . 0.81 110.762 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 46' ' ' VAL . . . . . . . . . . . . . 61.9 t -75.14 -61.69 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.34 109.61 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . 0.676 ' HB3' HD11 ' S' ' 66' ' ' LEU . 33.9 mt-10 -40.8 -21.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.884 -1.053 . . . . 2.44 112.451 178.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 48' ' ' SER . . . . . 0.633 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 68.9 m -87.02 -59.82 2.15 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.785 -0.366 . . . . 1.0 111.548 -178.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 49' ' ' ILE . . . . . 0.591 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.4 pp -58.91 -19.05 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.965 0.412 . . . . 0.34 111.482 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 50' ' ' LYS . . . . . 0.753 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -81.23 -60.78 2.16 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 120.236 -0.585 . . . . 1.59 112.13 -179.174 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 51' ' ' ASP . . . . . 0.753 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.2 OUTLIER -86.62 -40.51 15.09 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 114.066 1.135 . . . . 1.06 114.066 -178.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 52' ' ' LYS . . . . . 0.535 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 0.9 OUTLIER -73.63 -41.64 62.51 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.651 -0.42 . . . . 2.23 110.553 -178.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 53' ' ' LEU . . . . . 0.539 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.1 mm? -83.42 -7.12 59.61 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 121.378 0.608 . . . . 0.66 109.469 178.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 54' ' ' SER . . . . . 0.521 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 46.8 t -43.91 -37.69 3.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.641 -1.163 . . . . 0.86 111.688 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.92 -25.65 16.09 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.806 -0.711 . . . . 0.52 112.372 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.34 58.75 0.55 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.899 -0.667 . . . . 1.13 112.391 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 72.6 p -63.84 106.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.713 0.292 . . . . 1.29 110.928 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 58.0 m -157.37 85.32 0.92 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.266 -0.424 . . . . 1.95 111.263 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 59' ' ' SER . . . . . 0.582 ' HB3' ' HB2' ' S' ' 3' ' ' GLN . 36.4 t -168.11 -88.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 1.28 110.744 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . 0.596 ' HB2' ' HD2' ' S' ' 6' ' ' ARG . 29.9 tpt180 -94.48 18.64 10.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.44 0.638 . . . . 2.56 110.225 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.0 -15.14 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.542 -0.754 . . . . 1.1 111.784 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 46.7 t -62.98 -8.37 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 1.67 111.062 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 32.2 t -123.23 123.97 41.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.389 -0.369 . . . . 2.31 111.098 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -109.68 110.25 21.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 6.01 110.628 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 65' ' ' THR . . . . . 0.525 HG21 ' HG2' ' S' ' 9' ' ' MET . 44.6 p -119.87 -59.62 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 1.64 111.607 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . 0.683 HD12 ' SD ' ' S' ' 1' ' ' MET . 6.1 mt -61.41 -53.64 53.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.33 -0.395 . . . . 1.83 110.878 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.169 -0.92 . . . . 3.55 110.812 179.886 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . 0.67 ' SD ' ' HA ' ' S' ' 48' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.93 0.395 . . . . 1.42 111.11 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 2' ' ' ASP . . . . . 0.561 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 26.1 t0 -85.52 -117.13 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.911 -0.586 . . . . 1.97 110.196 -179.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 3' ' ' GLN . . . . . 0.542 ' HA ' ' HB3' ' S' ' 60' ' ' ARG . 25.8 pt20 -79.98 -12.77 59.69 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.499 0.19 . . . . 1.8 111.4 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 4' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 0.4 OUTLIER -72.15 -19.34 61.78 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 118.995 -1.082 . . . . 1.37 111.57 -177.09 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 5' ' ' THR . . . . . 0.497 ' O ' ' HB3' ' S' ' 9' ' ' MET . 87.7 m -61.73 -63.87 1.12 Allowed 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 119.079 -1.049 . . . . 1.04 109.177 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 6' ' ' ARG . . . . . 0.629 ' HD2' ' HB2' ' S' ' 60' ' ' ARG . 12.3 ptm180 -47.52 -63.87 0.94 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.508 0.558 . . . . 1.95 112.508 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 7' ' ' ASP . . . . . 0.442 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.1 OUTLIER -69.08 -49.43 57.32 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 114.635 1.346 . . . . 1.3 114.635 -177.373 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 8' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 23.3 mm-40 -83.45 -61.53 1.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.375 0.509 . . . . 1.34 112.375 -177.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 9' ' ' MET . . . . . 0.603 ' HG2' HG21 ' S' ' 65' ' ' THR . 13.7 tpt -48.8 -48.61 41.2 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.436 -0.505 . . . . 1.34 111.769 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -67.13 -42.92 83.64 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.261 0.467 . . . . 3.19 112.261 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -83.29 -62.09 1.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.332 0.493 . . . . 1.27 112.332 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.81 -52.37 8.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.715 0.293 . . . . 0.2 110.592 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 13' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' S' ' 9' ' ' MET . . . -57.28 -55.31 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.156 -0.683 . . . . 0.18 109.156 178.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.74 -55.02 3.14 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.788 -0.642 . . . . 0.17 112.078 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -67.22 -18.81 65.39 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 112.456 0.539 . . . . 1.28 112.456 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 16' ' ' ALA . . . . . 0.503 ' HB2' HH11 ' S' ' 39' ' ' ARG . . . -86.08 -29.11 23.64 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.559 -0.904 . . . . 0.14 108.559 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 17' ' ' LYS . . . . . 0.674 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 67.4 mmtt -78.83 -32.87 46.33 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 113.999 -1.455 . . . . 1.35 109.754 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 18' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 29.0 m-20 -79.49 -27.97 41.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.961 -0.563 . . . . 2.14 109.962 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -87.51 -65.75 0.98 Allowed 'General case' 0 C--O 1.25 1.129 0 C-N-CA 119.428 -0.909 . . . . 2.0 111.219 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 20' ' ' VAL . . . . . 0.56 ' O ' HG13 ' S' ' 24' ' ' ILE . 3.6 t -83.78 -31.89 8.44 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.69 0 CA-C-N 115.078 -0.965 . . . . 0.19 111.983 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 21' ' ' HIS . . . . . 0.674 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.4 t-80 -83.17 -31.16 27.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 119.021 -1.071 . . . . 1.17 110.119 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 22' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 16.2 t70 -56.27 -60.36 3.62 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 118.086 -1.446 . . . . 0.26 107.587 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 23' ' ' LYS . . . . . 0.546 ' HD3' ' HA ' ' S' ' 20' ' ' VAL . 15.0 ptmt -53.27 -40.68 64.86 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 119.732 -0.787 . . . . 0.74 112.822 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 24' ' ' ILE . . . . . 0.85 HG21 ' HA ' ' S' ' 33' ' ' ASN . 60.2 mt -62.07 -66.95 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 113.572 0.953 . . . . 0.12 113.572 -177.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 25' ' ' GLN . . . . . 0.658 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 32.7 mt-30 -36.22 -53.9 0.81 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.84 0.829 . . . . 1.19 109.407 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -54.68 -64.44 0.83 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.215 -1.357 . . . . 2.39 111.096 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.611 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 15.3 mt -92.96 -59.91 1.93 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.496 2.036 . . . . 0.61 116.496 -178.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.636 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 8.2 mptt -82.26 -8.72 59.64 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 117.049 2.24 . . . . 1.31 117.049 -172.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 29' ' ' ASP . . . . . 0.658 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 4.6 p-10 -34.86 -24.01 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 115.844 1.794 . . . . 2.17 115.844 -173.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 30' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' S' ' 28' ' ' LYS . 19.4 t70 -88.79 -74.23 0.47 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.654 1.116 . . . . 2.14 112.207 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 31' ' ' VAL . . . . . 0.703 HG13 ' H ' ' S' ' 32' ' ' GLY . 2.1 p -87.88 -59.14 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.347 -0.842 . . . . 1.32 113.115 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.703 ' H ' HG13 ' S' ' 31' ' ' VAL . . . -54.61 -15.64 6.32 Favored Glycine 0 C--N 1.312 -0.779 0 CA-C-N 114.433 -1.258 . . . . 0.19 112.395 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 33' ' ' ASN . . . . . 0.85 ' HA ' HG21 ' S' ' 24' ' ' ILE . 0.1 OUTLIER -53.46 -4.0 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.918 1.081 . . . . 2.05 113.918 -179.061 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 34' ' ' LYS . . . . . 0.604 ' O ' HG23 ' S' ' 38' ' ' VAL . 4.6 tmtp? -85.39 -33.53 21.96 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.156 -0.618 . . . . 1.04 109.507 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 35' ' ' ALA . . . . . 0.848 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -39.17 -42.41 0.96 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.104 -0.953 . . . . 0.24 112.368 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 36' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -66.8 -64.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.655 -0.498 . . . . 0.59 109.655 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -45.25 -21.21 0.07 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.138 -0.483 . . . . 2.24 112.158 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 38' ' ' VAL . . . . . 0.604 HG23 ' O ' ' S' ' 34' ' ' LYS . 97.4 t -76.2 -54.87 12.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.777 0.322 . . . . 0.45 110.362 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 39' ' ' ARG . . . . . 0.503 HH11 ' HB2' ' S' ' 16' ' ' ALA . 4.9 tmt_? -53.03 -30.83 37.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.144 0.497 . . . . 1.24 110.279 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -78.6 -23.68 45.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.925 -0.58 . . . . 0.71 110.791 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.48 -55.63 28.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.476 . . . . 0.28 110.845 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -59.13 -47.47 90.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 116.064 -0.516 . . . . 0.36 110.845 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 36.0 t -52.56 -52.13 56.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.592 -0.731 . . . . 1.24 109.775 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 44' ' ' SER . . . . . 0.412 ' O ' HD13 ' S' ' 66' ' ' LEU . 41.1 t -48.97 -39.93 28.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.151 -0.931 . . . . 1.31 111.776 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 62.0 m -57.66 -38.35 74.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.086 0.47 . . . . 0.81 110.771 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 46' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.93 -63.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.665 -0.698 . . . . 0.34 109.807 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . 0.684 ' HB3' HD11 ' S' ' 66' ' ' LEU . 7.9 mt-10 -40.96 -20.66 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.2 -0.909 . . . . 2.44 112.785 178.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 48' ' ' SER . . . . . 0.67 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 34.0 t -86.92 -60.13 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.697 -0.401 . . . . 1.0 111.677 -177.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 49' ' ' ILE . . . . . 0.639 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -58.79 -19.11 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.34 111.517 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 50' ' ' LYS . . . . . 0.761 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -80.76 -61.17 2.05 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.267 -0.573 . . . . 1.59 112.446 -178.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 51' ' ' ASP . . . . . 0.761 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.4 OUTLIER -87.4 -40.69 14.18 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 114.386 1.254 . . . . 1.06 114.386 -178.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 52' ' ' LYS . . . . . 0.433 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 12.9 ttpp -73.59 -42.65 61.27 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.143 -0.623 . . . . 2.23 110.421 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 53' ' ' LEU . . . . . 0.541 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 3.1 mm? -80.24 -8.06 59.28 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.373 0.606 . . . . 0.66 109.428 178.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 54' ' ' SER . . . . . 0.502 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 43.8 t -44.51 -47.6 10.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.585 -1.188 . . . . 0.86 111.456 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.39 -24.43 1.54 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.853 -0.689 . . . . 0.52 112.309 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.89 108.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.862 -0.685 . . . . 1.13 112.481 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 89.3 p -81.19 126.43 31.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.697 0.284 . . . . 1.29 110.874 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 81.7 p -147.67 -25.73 0.37 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.444 -0.344 . . . . 1.95 111.688 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 59' ' ' SER . . . . . 0.511 ' HB2' ' HB3' ' S' ' 3' ' ' GLN . 67.1 m -65.5 -98.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.666 -0.243 . . . . 1.28 111.127 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . 0.629 ' HB2' ' HD2' ' S' ' 6' ' ' ARG . 27.0 tpt180 -88.49 23.41 2.24 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.242 0.544 . . . . 2.56 110.405 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 61' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' S' ' 1' ' ' MET . . . -57.41 -14.94 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.686 -0.688 . . . . 1.1 111.641 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 49.7 m -69.32 -5.45 23.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.44 -0.345 . . . . 1.67 111.311 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 69.4 m -126.55 95.24 4.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.771 0.319 . . . . 2.31 111.142 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -86.34 134.62 33.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.13 -0.486 . . . . 6.01 110.547 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 65' ' ' THR . . . . . 0.603 HG21 ' HG2' ' S' ' 9' ' ' MET . 61.9 p -137.16 -63.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.449 -0.341 . . . . 1.64 111.809 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' S' ' 47' ' ' GLU . 3.8 mt -62.29 -45.14 94.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.462 -0.335 . . . . 1.83 110.868 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 67' ' ' GLU . . . . . 0.422 ' HB2' ' HE1' ' S' ' 1' ' ' MET . 43.5 tt0 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.309 -0.853 . . . . 3.55 110.842 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . 0.694 ' SD ' HD12 ' S' ' 66' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 120.862 0.363 . . . . 1.42 111.056 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 2' ' ' ASP . . . . . 0.582 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 38.5 t70 -89.62 -111.91 0.07 Allowed 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.032 -0.531 . . . . 1.97 110.425 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 3' ' ' GLN . . . . . 0.566 ' HA ' ' HB3' ' S' ' 60' ' ' ARG . 25.3 tt0 -80.0 -14.32 58.66 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 111.788 0.292 . . . . 1.8 111.788 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 4' ' ' GLU . . . . . 0.574 ' HG3' ' HB3' ' S' ' 1' ' ' MET . 0.2 OUTLIER -73.42 -17.25 61.28 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 118.829 -1.148 . . . . 1.37 111.62 -177.215 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 5' ' ' THR . . . . . 0.554 ' O ' ' HB3' ' S' ' 9' ' ' MET . 48.8 m -62.54 -64.12 1.02 Allowed 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 119.168 -1.013 . . . . 1.04 108.921 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 6' ' ' ARG . . . . . 0.622 ' HD2' ' HB2' ' S' ' 60' ' ' ARG . 13.2 ptm180 -47.29 -63.89 0.93 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 112.277 0.473 . . . . 1.95 112.277 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 7' ' ' ASP . . . . . 0.524 ' HB3' ' NE2' ' S' ' 8' ' ' GLN . 0.1 OUTLIER -68.73 -50.48 50.38 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 114.935 1.458 . . . . 1.3 114.935 -177.355 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 8' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 1.8 mp0 -83.35 -59.93 2.3 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.558 0.577 . . . . 1.34 112.558 -177.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 9' ' ' MET . . . . . 0.581 ' HG2' HG21 ' S' ' 65' ' ' THR . 13.2 tpt -47.25 -47.15 24.87 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.589 -0.444 . . . . 1.34 111.442 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 10' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' S' ' 6' ' ' ARG . 28.0 ttpp -69.93 -46.47 65.27 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.208 0.447 . . . . 3.19 112.208 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 11' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 4.6 t-20 -77.34 -61.8 1.87 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.003 0.372 . . . . 1.27 112.003 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -45.27 -51.21 11.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.677 0.275 . . . . 0.2 110.43 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.32 -55.11 37.49 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.049 -0.722 . . . . 0.18 109.049 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 14' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -40.54 -57.0 1.95 Allowed 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.755 -0.657 . . . . 0.17 112.157 178.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -67.83 -19.25 65.04 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 113.068 0.766 . . . . 1.28 113.068 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.3 -32.87 20.83 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.786 0.803 . . . . 0.14 109.264 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 17' ' ' LYS . . . . . 0.682 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 31.1 mmtp -78.67 -34.02 46.58 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.231 -1.35 . . . . 1.35 110.163 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 18' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 15.0 t70 -79.33 -27.61 42.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.871 -0.604 . . . . 2.14 110.54 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -87.25 -67.21 0.84 Allowed 'General case' 0 C--O 1.249 1.037 0 C-N-CA 118.966 -1.094 . . . . 2.0 111.34 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 20' ' ' VAL . . . . . 0.533 ' O ' HG13 ' S' ' 24' ' ' ILE . 3.9 t -84.25 -31.78 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 CA-C-N 114.922 -1.035 . . . . 0.19 111.613 -178.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 21' ' ' HIS . . . . . 0.682 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 5.9 t60 -83.68 -30.11 27.06 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 118.956 -1.098 . . . . 1.17 110.338 -178.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 22' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 14.0 t70 -57.29 -59.48 5.05 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 118.137 -1.425 . . . . 0.26 107.692 178.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -38.06 75.07 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 119.607 -0.837 . . . . 0.74 112.486 177.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 24' ' ' ILE . . . . . 0.876 HG21 ' HA ' ' S' ' 33' ' ' ASN . 39.2 mt -59.33 -65.57 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 112.499 0.555 . . . . 0.12 112.499 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 25' ' ' GLN . . . . . 0.686 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 33.9 mt-30 -36.04 -53.54 0.78 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.848 0.832 . . . . 1.19 109.252 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 26' ' ' GLU . . . . . 0.511 ' HB2' HD12 ' S' ' 27' ' ' LEU . 11.9 mm-40 -53.34 -64.95 0.66 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.199 -1.364 . . . . 2.39 111.234 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.678 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 4.8 mp -93.58 -59.47 2.0 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 116.091 1.886 . . . . 0.61 116.091 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.678 ' HD2' ' HB2' ' S' ' 27' ' ' LEU . 8.4 mptt -81.38 -9.06 59.81 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 117.104 2.261 . . . . 1.31 117.104 -172.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 29' ' ' ASP . . . . . 0.686 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 6.2 p-10 -34.71 -23.04 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.454 1.65 . . . . 2.17 115.454 -173.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 30' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' S' ' 28' ' ' LYS . 30.7 t70 -88.91 -73.66 0.49 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.36 0.982 . . . . 2.14 111.901 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 31' ' ' VAL . . . . . 0.59 HG23 ' H ' ' S' ' 32' ' ' GLY . 1.8 m -90.61 -58.51 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 113.382 0.882 . . . . 1.32 113.382 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.648 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -53.23 -15.78 4.1 Favored Glycine 0 CA--C 1.521 0.466 0 CA-C-N 115.559 -0.746 . . . . 0.19 112.239 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 33' ' ' ASN . . . . . 0.876 ' HA ' HG21 ' S' ' 24' ' ' ILE . 27.7 p-10 -53.19 -3.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.431 0.9 . . . . 2.05 113.431 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 34' ' ' LYS . . . . . 0.63 ' O ' HG23 ' S' ' 38' ' ' VAL . 22.2 tptm -85.19 -37.87 19.64 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.656 -0.418 . . . . 1.04 110.089 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 35' ' ' ALA . . . . . 0.705 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -40.38 -37.39 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.503 -0.772 . . . . 0.24 112.297 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 36' ' ' ALA . . . . . 0.462 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -70.25 -65.72 0.69 Allowed 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.612 -0.435 . . . . 0.59 109.963 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -45.73 -20.81 0.09 Allowed 'General case' 0 C--O 1.232 0.17 0 N-CA-C 112.091 0.404 . . . . 2.24 112.091 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 38' ' ' VAL . . . . . 0.63 HG23 ' O ' ' S' ' 34' ' ' LYS . 83.0 t -72.29 -53.46 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 0.45 110.505 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 39' ' ' ARG . . . . . 0.432 ' O ' ' HD3' ' S' ' 39' ' ' ARG . 0.0 OUTLIER -50.69 -38.0 44.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.968 -0.56 . . . . 1.24 110.815 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -76.29 -21.46 56.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.396 -0.366 . . . . 0.71 111.182 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.67 -56.86 16.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.28 110.655 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 3.0 m -61.3 -46.07 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.931 -0.577 . . . . 0.36 111.211 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 84.5 p -52.74 -51.66 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.401 -0.818 . . . . 1.24 109.66 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 44.9 t -48.83 -39.65 26.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.448 -0.797 . . . . 1.31 111.427 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 35.0 m -57.18 -37.6 72.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.179 0.514 . . . . 0.81 110.208 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 46' ' ' VAL . . . . . 0.415 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 42.6 t -76.11 -63.29 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.408 -0.814 . . . . 0.34 109.609 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . 0.711 ' HB3' HD11 ' S' ' 66' ' ' LEU . 1.0 OUTLIER -41.14 -20.96 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.383 -0.826 . . . . 2.44 112.626 178.273 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 48' ' ' SER . . . . . 0.677 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 51.2 m -86.58 -60.04 2.1 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.656 -0.418 . . . . 1.0 111.485 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 49' ' ' ILE . . . . . 0.631 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -58.96 -18.51 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.133 -0.485 . . . . 0.34 111.557 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 50' ' ' LYS . . . . . 0.775 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 11.8 ptpt -81.85 -61.06 2.03 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.6 0.593 . . . . 1.59 112.6 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 51' ' ' ASP . . . . . 0.775 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.3 OUTLIER -86.86 -42.29 13.35 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 114.478 1.288 . . . . 1.06 114.478 -177.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 52' ' ' LYS . . . . . 0.481 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 4.6 tmmm? -73.97 -38.38 64.19 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.341 -0.543 . . . . 2.23 110.265 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 53' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.5 mm? -85.43 -7.78 58.74 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.311 0.577 . . . . 0.66 109.658 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 54' ' ' SER . . . . . 0.522 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 41.1 t -43.51 -39.76 3.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.659 -1.155 . . . . 0.86 111.592 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.05 -30.12 6.73 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.798 -0.715 . . . . 0.52 112.533 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.86 54.45 0.68 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.719 . . . . 1.13 112.483 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 57' ' ' SER . . . . . 0.472 ' HB2' ' HB2' ' S' ' 2' ' ' ASP . 77.1 p -58.32 103.65 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.822 0.344 . . . . 1.29 111.0 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 68.2 m -155.33 74.88 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 1.95 111.148 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 59' ' ' SER . . . . . 0.543 ' HB2' ' HB2' ' S' ' 3' ' ' GLN . 70.8 m -155.06 -90.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 1.28 110.872 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . 0.622 ' HB2' ' HD2' ' S' ' 6' ' ' ARG . 26.5 tpt180 -95.13 23.3 5.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.419 0.628 . . . . 2.56 110.302 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.25 -13.84 3.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.719 -0.673 . . . . 1.1 111.762 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -68.04 -6.1 20.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.417 -0.356 . . . . 1.67 111.391 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 66.5 p -131.8 93.06 3.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.905 0.383 . . . . 2.31 111.037 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -85.32 136.16 33.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.011 -0.541 . . . . 6.01 110.689 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 65' ' ' THR . . . . . 0.581 HG21 ' HG2' ' S' ' 9' ' ' MET . 49.9 p -138.79 -60.06 0.6 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.425 -0.352 . . . . 1.64 111.679 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . 0.711 HD11 ' HB3' ' S' ' 47' ' ' GLU . 5.4 mt -59.84 -50.8 72.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 1.83 111.153 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.276 -0.869 . . . . 3.55 111.006 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . 0.656 ' HG2' HD22 ' S' ' 66' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 121.02 0.438 . . . . 1.42 111.472 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 2' ' ' ASP . . . . . 0.506 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 35.8 t70 -104.77 -119.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.195 0.813 . . . . 1.97 113.195 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 3' ' ' GLN . . . . . 0.703 ' HA ' ' HB3' ' S' ' 60' ' ' ARG . 12.8 pt20 -80.98 -12.48 59.37 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 113.243 0.831 . . . . 1.8 113.243 -176.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 4' ' ' GLU . . . . . 0.67 ' HG3' ' O ' ' S' ' 47' ' ' GLU . 0.0 OUTLIER -61.41 -21.62 64.27 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 118.837 -1.145 . . . . 1.37 111.209 -177.16 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 5' ' ' THR . . . . . 0.502 ' O ' ' HB3' ' S' ' 9' ' ' MET . 90.9 m -61.15 -63.04 1.42 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 119.558 -0.857 . . . . 1.04 108.967 179.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 6' ' ' ARG . . . . . 0.652 ' HD3' ' HE ' ' S' ' 60' ' ' ARG . 43.1 mtm180 -41.83 -65.85 0.41 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.703 -0.68 . . . . 1.95 112.522 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.78 -47.08 27.29 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.868 1.433 . . . . 1.3 114.868 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 8' ' ' GLN . . . . . 0.525 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 11.5 mm100 -78.29 -61.31 2.04 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.252 -0.579 . . . . 1.34 111.566 -177.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 9' ' ' MET . . . . . 0.502 ' HB3' ' O ' ' S' ' 5' ' ' THR . 0.7 OUTLIER -46.88 -50.34 18.82 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.501 -0.48 . . . . 1.34 111.088 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 10' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -62.94 -44.24 96.62 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.272 0.471 . . . . 3.19 112.272 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 11' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -83.27 -61.94 1.72 Allowed 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.537 0.569 . . . . 1.27 112.537 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.5 -52.97 7.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.754 0.311 . . . . 0.2 110.682 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.97 -55.83 29.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.08 -0.711 . . . . 0.18 109.08 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.77 -57.57 1.89 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.602 -0.726 . . . . 0.17 112.258 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.81 -19.4 65.87 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.135 0.791 . . . . 1.28 113.135 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 16' ' ' ALA . . . . . 0.43 ' HB2' HH11 ' S' ' 39' ' ' ARG . . . -86.07 -34.86 20.58 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.663 0.744 . . . . 0.14 109.392 -177.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 17' ' ' LYS . . . . . 0.669 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 71.4 mmtt -78.9 -32.55 45.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.489 -1.232 . . . . 1.35 110.354 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 18' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' S' ' 22' ' ' ASP . 2.5 m-20 -79.35 -28.36 42.0 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.491 -0.484 . . . . 2.14 110.343 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -87.45 -65.79 0.98 Allowed 'General case' 0 C--O 1.249 1.068 0 C-N-CA 119.277 -0.969 . . . . 2.0 111.175 -177.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 20' ' ' VAL . . . . . 0.524 ' O ' HG13 ' S' ' 24' ' ' ILE . 2.1 t -83.96 -32.07 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 CA-C-N 114.907 -1.042 . . . . 0.19 111.841 -177.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 21' ' ' HIS . . . . . 0.669 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 2.1 t-160 -83.0 -31.32 27.53 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 118.738 -1.185 . . . . 1.17 109.968 -178.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 22' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' S' ' 18' ' ' ASP . 28.9 t70 -56.7 -60.16 3.95 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 118.13 -1.428 . . . . 0.26 108.027 178.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 23' ' ' LYS . . . . . 0.423 ' HD3' ' HD3' ' S' ' 28' ' ' LYS . 0.0 OUTLIER -58.79 -38.09 77.76 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 119.52 -0.872 . . . . 0.74 113.103 177.2 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 24' ' ' ILE . . . . . 0.856 HG21 ' HA ' ' S' ' 33' ' ' ASN . 54.7 mt -61.37 -66.0 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 C-N-CA 120.395 -0.522 . . . . 0.12 112.397 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 25' ' ' GLN . . . . . 0.64 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 15.2 mt-30 -35.96 -55.26 0.75 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.886 0.85 . . . . 1.19 109.488 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -53.47 -64.69 0.74 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.197 -1.365 . . . . 2.39 111.238 178.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.613 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 16.1 mt -93.16 -59.97 1.91 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 116.289 1.959 . . . . 0.61 116.289 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.707 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 1.9 mptp? -81.39 -8.3 59.71 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 116.895 2.184 . . . . 1.31 116.895 -172.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 29' ' ' ASP . . . . . 0.64 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 6.6 p-10 -34.35 -22.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.449 1.648 . . . . 2.17 115.449 -173.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 30' ' ' ASP . . . . . 0.542 ' N ' ' O ' ' S' ' 28' ' ' LYS . 14.6 t70 -88.47 -74.1 0.47 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 119.604 1.093 . . . . 2.14 111.879 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 31' ' ' VAL . . . . . 0.687 HG13 ' H ' ' S' ' 32' ' ' GLY . 6.5 p -89.32 -58.59 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.441 0.904 . . . . 1.32 113.441 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.707 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -51.35 -16.13 2.11 Favored Glycine 0 CA--C 1.522 0.519 0 CA-C-N 115.055 -0.975 . . . . 0.19 112.465 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 33' ' ' ASN . . . . . 0.856 ' HA ' HG21 ' S' ' 24' ' ' ILE . 19.9 t-20 -54.4 -4.59 0.06 Allowed 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.958 0.725 . . . . 2.05 112.958 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 34' ' ' LYS . . . . . 0.636 ' O ' HG23 ' S' ' 38' ' ' VAL . 22.3 tptm -86.26 -21.32 27.45 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.606 -0.437 . . . . 1.04 111.07 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 35' ' ' ALA . . . . . 0.619 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -62.62 -35.19 78.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.18 -0.463 . . . . 0.24 111.603 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 36' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -80.99 -21.18 40.47 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.365 0.602 . . . . 0.59 110.06 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 37' ' ' GLU . . . . . 0.538 ' HB2' ' HD2' ' S' ' 34' ' ' LYS . 15.8 mm-40 -84.3 -30.0 25.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.148 -0.933 . . . . 2.24 109.544 -178.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 38' ' ' VAL . . . . . 0.636 HG23 ' O ' ' S' ' 34' ' ' LYS . 80.3 t -76.71 -46.03 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 115.44 -0.8 . . . . 0.45 109.836 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 39' ' ' ARG . . . . . 0.43 HH11 ' HB2' ' S' ' 16' ' ' ALA . 4.5 tmt_? -56.08 -36.87 68.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.035 -0.529 . . . . 1.24 110.515 179.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -75.24 -24.03 57.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.983 0.421 . . . . 0.71 110.1 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 41' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' S' ' 38' ' ' VAL . . . -63.06 -50.58 70.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.893 -0.594 . . . . 0.28 111.46 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -62.85 -46.24 96.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 121.145 0.497 . . . . 0.36 111.046 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 71.0 m -52.67 -52.17 57.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.72 -0.673 . . . . 1.24 109.64 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 66.4 m -48.73 -43.22 37.25 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.213 -0.903 . . . . 1.31 112.293 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 24.7 p -56.85 -35.08 68.45 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.965 0.412 . . . . 0.81 110.764 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 46' ' ' VAL . . . . . 0.454 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 60.4 t -75.09 -63.33 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.849 -0.614 . . . . 0.34 109.471 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . 0.676 ' HB3' HD21 ' S' ' 66' ' ' LEU . 31.2 mt-10 -40.36 -22.52 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.177 -0.92 . . . . 2.44 112.311 178.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 48' ' ' SER . . . . . 0.615 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 71.2 m -85.79 -59.61 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.581 -0.448 . . . . 1.0 111.748 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 49' ' ' ILE . . . . . 0.663 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -62.11 -19.07 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.894 0.378 . . . . 0.34 111.662 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 50' ' ' LYS . . . . . 0.77 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -79.79 -61.19 2.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.669 0.618 . . . . 1.59 112.669 -178.458 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 51' ' ' ASP . . . . . 0.77 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.3 OUTLIER -86.9 -37.71 17.4 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 115.128 1.529 . . . . 1.06 115.128 -178.061 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 52' ' ' LYS . . . . . 0.606 ' HB2' ' HA ' ' S' ' 1' ' ' MET . 20.2 ttmm -79.13 -36.55 40.39 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.003 -0.679 . . . . 2.23 110.849 -178.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 53' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 3.1 mm? -86.1 -7.58 58.49 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.709 -0.849 . . . . 0.66 108.709 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 54' ' ' SER . . . . . 0.511 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 33.9 t -43.07 -43.74 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.194 -1.366 . . . . 0.86 111.57 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.46 -12.52 12.33 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.52 112.535 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -117.35 -70.7 0.41 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.816 -0.707 . . . . 1.13 112.475 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 57' ' ' SER . . . . . 0.422 ' HA ' ' CG ' ' S' ' 2' ' ' ASP . 29.7 t 54.79 86.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.79 0.329 . . . . 1.29 111.031 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 47.8 t -145.85 -21.81 0.46 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 1.95 111.381 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 59' ' ' SER . . . . . 0.431 ' HB3' ' HB3' ' S' ' 3' ' ' GLN . 35.8 t -67.12 -91.07 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.652 0.263 . . . . 1.28 111.123 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . 0.703 ' HB3' ' HA ' ' S' ' 3' ' ' GLN . 4.7 tpp180 -94.18 43.82 1.11 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.258 0.551 . . . . 2.56 110.516 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.34 -7.94 54.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.951 -0.568 . . . . 1.1 111.518 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 54.6 m -89.34 -1.93 58.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 1.67 111.508 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . 0.445 ' HB3' ' HG3' ' S' ' 60' ' ' ARG . 37.4 t -101.88 141.54 34.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 2.31 111.186 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -132.01 103.06 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.037 -0.529 . . . . 6.01 110.506 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 65' ' ' THR . . . . . 0.465 ' OG1' ' HG3' ' S' ' 9' ' ' MET . 66.4 p -130.32 -52.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 1.64 111.627 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . 0.676 HD21 ' HB3' ' S' ' 47' ' ' GLU . 8.5 mp -49.82 -59.25 4.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.214 -0.448 . . . . 1.83 110.566 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.268 -0.872 . . . . 3.55 110.839 179.729 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . 0.69 ' HB2' HD22 ' S' ' 66' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.742 0.306 . . . . 1.42 111.147 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 2' ' ' ASP . . . . . 0.55 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 2.1 m-20 -89.32 -109.81 0.08 Allowed 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.134 -0.485 . . . . 1.97 110.21 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 3' ' ' GLN . . . . . 0.578 ' HB2' ' HB2' ' S' ' 59' ' ' SER . 50.0 tt0 -79.8 -14.6 58.57 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 120.851 0.358 . . . . 1.8 111.22 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 4' ' ' GLU . . . . . 0.637 ' HG3' ' HB3' ' S' ' 1' ' ' MET . 0.1 OUTLIER -75.43 -16.17 60.37 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 118.853 -1.139 . . . . 1.37 111.668 -177.248 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 5' ' ' THR . . . . . 0.526 ' O ' ' HB3' ' S' ' 9' ' ' MET . 58.5 m -61.49 -63.58 1.23 Allowed 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 118.939 -1.104 . . . . 1.04 108.583 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 6' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' S' ' 10' ' ' LYS . 5.4 ptm180 -46.68 -64.88 0.66 Allowed 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.743 -0.662 . . . . 1.95 112.013 178.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 7' ' ' ASP . . . . . 0.415 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.1 OUTLIER -68.99 -51.24 41.44 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 114.987 1.477 . . . . 1.3 114.987 -177.468 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 8' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' S' ' 12' ' ' ALA . 13.1 mm100 -81.95 -61.62 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.528 0.566 . . . . 1.34 112.528 -176.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 9' ' ' MET . . . . . 0.526 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.4 tpt -46.27 -49.52 17.26 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.615 -0.434 . . . . 1.34 111.526 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 10' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 32.6 mmmt -65.89 -44.15 86.16 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.319 0.488 . . . . 3.19 112.319 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 11' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 2.7 t-20 -83.47 -61.97 1.7 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.665 0.617 . . . . 1.27 112.665 -178.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.74 -53.8 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.722 0.296 . . . . 0.2 110.718 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 13' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' S' ' 9' ' ' MET . . . -55.09 -54.48 42.53 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.157 -0.683 . . . . 0.18 109.157 178.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 14' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -41.24 -54.93 2.83 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.671 -0.695 . . . . 0.17 112.475 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.62 -19.27 64.43 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 113.131 0.789 . . . . 1.28 113.131 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 16' ' ' ALA . . . . . 0.408 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -86.2 -30.91 22.05 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.738 0.78 . . . . 0.14 108.923 -178.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 17' ' ' LYS . . . . . 0.766 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 69.0 mmtt -78.47 -33.62 48.21 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 114.242 -1.344 . . . . 1.35 109.97 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 18' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 17.6 t70 -79.35 -27.48 41.99 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.874 -0.603 . . . . 2.14 110.229 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -87.4 -66.85 0.87 Allowed 'General case' 0 C--O 1.248 1.021 0 C-N-CA 119.426 -0.91 . . . . 2.0 111.564 -176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 20' ' ' VAL . . . . . 0.546 ' O ' HG13 ' S' ' 24' ' ' ILE . 2.6 t -84.68 -29.55 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 115.146 -0.934 . . . . 0.19 111.803 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 21' ' ' HIS . . . . . 0.766 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 2.8 t60 -83.2 -31.66 26.96 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 118.906 -1.118 . . . . 1.17 109.625 -178.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 22' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 15.9 t70 -55.62 -60.52 3.32 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 118.217 -1.393 . . . . 0.26 107.472 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -54.53 -41.58 69.86 Favored 'General case' 0 C--N 1.344 0.334 0 N-CA-C 113.036 0.754 . . . . 0.74 113.036 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 24' ' ' ILE . . . . . 0.838 HG21 ' HA ' ' S' ' 33' ' ' ASN . 69.0 mt -61.8 -66.29 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 113.146 0.795 . . . . 0.12 113.146 -177.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 25' ' ' GLN . . . . . 0.568 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 32.7 mt-30 -35.77 -56.44 0.69 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.889 0.852 . . . . 1.19 109.537 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -52.85 -64.79 0.7 Allowed 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.1 -1.409 . . . . 2.39 111.213 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.585 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 15.4 mt -93.39 -60.35 1.8 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 116.606 2.076 . . . . 0.61 116.606 -178.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.667 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.17 -8.48 59.65 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 117.121 2.267 . . . . 1.31 117.121 -172.395 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 29' ' ' ASP . . . . . 0.568 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 18.2 t70 -34.65 -21.37 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.177 1.547 . . . . 2.17 115.177 -173.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 30' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' S' ' 28' ' ' LYS . 8.8 m-20 -88.88 -73.38 0.5 Allowed 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.4 1.0 . . . . 2.14 111.771 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 31' ' ' VAL . . . . . 0.689 HG13 ' H ' ' S' ' 32' ' ' GLY . 5.9 p -91.44 -59.23 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 113.946 1.091 . . . . 1.32 113.946 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.689 ' H ' HG13 ' S' ' 31' ' ' VAL . . . -50.86 -15.91 1.56 Allowed Glycine 0 CA--C 1.523 0.58 0 CA-C-N 115.309 -0.86 . . . . 0.19 112.594 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 33' ' ' ASN . . . . . 0.838 ' HA ' HG21 ' S' ' 24' ' ' ILE . 3.3 t30 -53.67 -3.53 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.255 0.835 . . . . 2.05 113.255 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 34' ' ' LYS . . . . . 0.55 ' O ' HG23 ' S' ' 38' ' ' VAL . 4.8 tmtp? -85.49 -21.42 28.67 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.599 -0.44 . . . . 1.04 111.24 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 35' ' ' ALA . . . . . 0.528 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -63.65 -33.56 75.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.275 -0.42 . . . . 0.24 111.942 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 36' ' ' ALA . . . . . 0.52 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -80.71 -21.54 41.13 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.477 0.656 . . . . 0.59 109.929 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 37' ' ' GLU . . . . . 0.453 ' HB2' ' HD3' ' S' ' 34' ' ' LYS . 45.3 mt-10 -83.76 -29.42 27.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.128 -0.942 . . . . 2.24 109.686 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 38' ' ' VAL . . . . . 0.55 HG23 ' O ' ' S' ' 34' ' ' LYS . 69.5 t -74.46 -42.22 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 109.0 -0.741 . . . . 0.45 109.0 178.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 39' ' ' ARG . . . . . 0.408 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 2.8 tmt_? -50.29 -49.0 54.76 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.673 -0.694 . . . . 1.24 109.867 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.86 -22.04 62.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.416 . . . . 0.71 111.368 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 41' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' S' ' 38' ' ' VAL . . . -63.74 -57.34 10.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.579 -0.282 . . . . 0.28 111.495 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 m -57.89 -46.43 87.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.181 0.515 . . . . 0.36 111.079 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 49.8 m -52.06 -51.34 58.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.401 -0.818 . . . . 1.24 109.741 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -47.71 -39.19 16.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.324 -0.853 . . . . 1.31 111.541 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 62.9 m -59.62 -40.17 86.66 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.925 0.393 . . . . 0.81 110.781 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 46' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 63.3 t -75.15 -61.31 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.838 -0.619 . . . . 0.34 109.545 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' S' ' 4' ' ' GLU . 16.4 mt-10 -39.94 -22.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.856 -1.066 . . . . 2.44 112.289 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 48' ' ' SER . . . . . 0.668 ' OG ' HD23 ' S' ' 66' ' ' LEU . 43.2 m -87.01 -60.24 2.03 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.663 -0.415 . . . . 1.0 110.942 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 49' ' ' ILE . . . . . 0.611 ' HA ' ' HB2' ' S' ' 53' ' ' LEU . 2.3 pp -58.65 -19.96 15.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.77 0.319 . . . . 0.34 111.629 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 50' ' ' LYS . . . . . 0.785 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.0 OUTLIER -80.6 -61.37 1.99 Allowed 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.333 -0.547 . . . . 1.59 111.822 -179.197 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 51' ' ' ASP . . . . . 0.785 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.2 OUTLIER -86.38 -39.12 16.72 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 113.279 0.844 . . . . 1.06 113.279 -179.073 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 52' ' ' LYS . . . . . 0.648 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 5.6 tmmm? -71.42 -45.1 63.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.698 0.285 . . . . 2.23 110.456 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 53' ' ' LEU . . . . . 0.611 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 0.3 OUTLIER -82.62 -5.86 59.04 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.269 0.557 . . . . 0.66 109.578 178.758 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 54' ' ' SER . . . . . 0.499 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 35.8 t -45.11 -32.1 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.815 -1.084 . . . . 0.86 111.798 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.6 -46.84 1.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.962 -0.637 . . . . 0.52 111.658 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -107.76 56.96 0.46 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.943 -0.646 . . . . 1.13 111.778 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 51.7 p -48.48 107.85 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.364 . . . . 1.29 111.318 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 70.1 m -158.18 -152.21 0.33 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.98 -0.554 . . . . 1.95 110.994 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 59' ' ' SER . . . . . 0.578 ' HB2' ' HB2' ' S' ' 3' ' ' GLN . 68.5 m 65.34 -107.91 0.15 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.313 -0.403 . . . . 1.28 111.14 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . 0.55 ' HB3' ' O ' ' S' ' 2' ' ' ASP . 0.1 OUTLIER -82.29 38.12 0.53 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.85 0.357 . . . . 2.56 110.471 179.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.47 -19.94 58.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 1.1 111.487 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 79.9 p -69.05 -3.74 14.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.442 -0.345 . . . . 1.67 110.934 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . 0.495 ' HB2' ' HD2' ' S' ' 60' ' ' ARG . 29.2 t -77.38 174.71 10.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 2.31 111.127 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -163.56 52.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 6.01 110.542 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 65' ' ' THR . . . . . . . . . . . . . 60.7 p -103.24 -63.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 1.64 111.507 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . 0.69 HD22 ' HB2' ' S' ' 1' ' ' MET . 11.1 mp -67.09 -37.5 84.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.42 -0.355 . . . . 1.83 110.947 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.279 -0.867 . . . . 3.55 110.803 179.665 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . 0.572 ' SD ' ' HA ' ' S' ' 48' ' ' SER . 1.3 mpp? . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.803 0.335 . . . . 1.42 111.343 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 2' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' S' ' 60' ' ' ARG . 37.6 t70 -107.64 -109.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.917 0.71 . . . . 1.97 112.917 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 3' ' ' GLN . . . . . 0.627 ' HA ' ' HB3' ' S' ' 60' ' ' ARG . 49.4 tt0 -79.68 -13.75 59.26 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 112.545 0.572 . . . . 1.8 112.545 -177.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 4' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' S' ' 47' ' ' GLU . 1.3 pp20? -67.46 -25.85 66.09 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 119.129 -1.028 . . . . 1.37 112.252 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 5' ' ' THR . . . . . 0.663 ' HB ' HG22 ' S' ' 65' ' ' THR . 0.0 OUTLIER -59.7 -63.69 1.21 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 119.171 -1.012 . . . . 1.04 110.261 -179.737 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 6' ' ' ARG . . . . . 0.607 ' HD2' ' HD2' ' S' ' 60' ' ' ARG . 12.2 ptm180 -45.27 -65.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.932 0.715 . . . . 1.95 112.932 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 7' ' ' ASP . . . . . 0.492 ' H ' ' HG3' ' S' ' 6' ' ' ARG . 0.9 OUTLIER -71.52 -46.37 59.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.822 1.416 . . . . 1.3 114.822 -177.051 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 8' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' S' ' 4' ' ' GLU . 80.2 mm-40 -83.39 -60.41 2.14 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.331 0.493 . . . . 1.34 112.331 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 9' ' ' MET . . . . . 0.657 ' HB2' ' HA ' ' S' ' 5' ' ' THR . 0.0 OUTLIER -48.44 -49.82 33.7 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.776 -0.37 . . . . 1.34 111.59 -178.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 10' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 3.4 mmmp? -67.49 -42.37 83.01 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.429 0.529 . . . . 3.19 112.429 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 11' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 2.8 t-20 -83.23 -61.56 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.385 0.513 . . . . 1.27 112.385 -178.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' S' ' 8' ' ' GLN . . . -44.81 -53.22 7.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.849 0.357 . . . . 0.2 110.59 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.87 -53.68 49.13 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.112 -0.699 . . . . 0.18 109.112 178.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 14' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -41.07 -55.61 2.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.627 -0.715 . . . . 0.17 112.214 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -66.45 -19.01 65.68 Favored 'General case' 0 N--CA 1.461 0.08 0 N-CA-C 113.074 0.768 . . . . 1.28 113.074 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 16' ' ' ALA . . . . . 0.59 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -85.76 -31.8 22.19 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.636 0.732 . . . . 0.14 109.025 -177.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 17' ' ' LYS . . . . . 0.659 ' O ' ' HB3' ' S' ' 21' ' ' HIS . 41.8 mmtm -78.57 -33.47 47.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.512 -1.222 . . . . 1.35 110.057 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 18' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 12.1 m-20 -77.75 -29.23 50.98 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.073 -0.512 . . . . 2.14 110.32 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -87.23 -66.2 0.93 Allowed 'General case' 0 C--O 1.248 1.012 0 C-N-CA 119.373 -0.931 . . . . 2.0 111.411 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 20' ' ' VAL . . . . . 0.564 ' O ' HG13 ' S' ' 24' ' ' ILE . 3.5 t -84.14 -31.03 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-N 115.154 -0.93 . . . . 0.19 111.94 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 21' ' ' HIS . . . . . 0.659 ' HB3' ' O ' ' S' ' 17' ' ' LYS . 7.4 t60 -83.03 -30.91 27.71 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 118.854 -1.138 . . . . 1.17 110.049 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 22' ' ' ASP . . . . . 0.474 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 14.7 t70 -57.41 -60.59 3.41 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 118.164 -1.415 . . . . 0.26 107.722 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -53.3 -39.91 64.37 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 119.759 -0.776 . . . . 0.74 112.733 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 24' ' ' ILE . . . . . 0.929 HG21 ' HA ' ' S' ' 33' ' ' ASN . 62.2 mt -62.73 -66.59 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 113.357 0.873 . . . . 0.12 113.357 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 25' ' ' GLN . . . . . 0.618 ' HA ' ' HB2' ' S' ' 29' ' ' ASP . 7.0 mt-30 -35.86 -55.18 0.74 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.957 0.884 . . . . 1.19 109.362 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -53.3 -64.63 0.76 Allowed 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 113.971 -1.468 . . . . 2.39 111.205 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.551 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 12.3 mt -93.53 -60.13 1.85 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 116.579 2.066 . . . . 0.61 116.579 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.729 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 0.0 OUTLIER -82.86 -7.96 59.62 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 117.089 2.255 . . . . 1.31 117.089 -172.504 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 29' ' ' ASP . . . . . 0.618 ' HB2' ' HA ' ' S' ' 25' ' ' GLN . 20.4 t70 -34.64 -22.3 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.598 1.703 . . . . 2.17 115.598 -173.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 30' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' S' ' 28' ' ' LYS . 17.1 t70 -88.59 -74.02 0.48 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.417 1.008 . . . . 2.14 112.058 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 31' ' ' VAL . . . . . 0.699 HG13 ' H ' ' S' ' 32' ' ' GLY . 5.1 p -88.17 -58.75 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 113.462 0.912 . . . . 1.32 113.462 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.729 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -54.47 -15.99 6.48 Favored Glycine 0 C--N 1.314 -0.678 0 CA-C-N 114.948 -1.024 . . . . 0.19 112.356 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 33' ' ' ASN . . . . . 0.929 ' HA ' HG21 ' S' ' 24' ' ' ILE . 28.4 p-10 -53.66 -4.49 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.89 1.07 . . . . 2.05 113.89 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 34' ' ' LYS . . . . . 0.54 ' O ' HG23 ' S' ' 38' ' ' VAL . 1.4 tmtp? -85.11 -39.77 17.54 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.238 -0.585 . . . . 1.04 109.552 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 35' ' ' ALA . . . . . 0.609 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -39.68 -36.6 0.43 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.435 -0.802 . . . . 0.24 112.319 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 36' ' ' ALA . . . . . 0.5 ' HA ' ' HB ' ' S' ' 20' ' ' VAL . . . -66.93 -64.73 0.79 Allowed 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.992 -0.744 . . . . 0.59 108.992 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 37' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -45.1 -20.6 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.873 -0.603 . . . . 2.24 111.926 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 38' ' ' VAL . . . . . 0.54 HG23 ' O ' ' S' ' 34' ' ' LYS . 65.5 t -71.36 -52.34 27.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 110.046 -0.353 . . . . 0.45 110.046 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 39' ' ' ARG . . . . . 0.59 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 4.0 tmt_? -50.2 -33.94 21.07 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.989 -0.551 . . . . 1.24 110.367 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.38 -26.61 55.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.156 -0.474 . . . . 0.71 111.29 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.09 -52.9 63.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 0.28 111.228 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 3.5 m -64.83 -48.08 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.029 0.442 . . . . 0.36 111.492 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -53.55 -54.91 30.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.683 -0.69 . . . . 1.24 110.438 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 61.2 m -51.06 -37.51 45.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.454 -0.794 . . . . 1.31 111.535 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 45' ' ' THR . . . . . . . . . . . . . 52.5 m -57.7 -37.44 73.49 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.194 0.521 . . . . 0.81 110.24 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 46' ' ' VAL . . . . . 0.479 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 60.5 t -76.1 -64.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.303 -0.862 . . . . 0.34 109.712 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . 0.614 ' HB3' HD11 ' S' ' 66' ' ' LEU . 2.6 mp0 -41.25 -20.87 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.271 -0.877 . . . . 2.44 112.563 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 48' ' ' SER . . . . . 0.572 ' HA ' ' SD ' ' S' ' 1' ' ' MET . 46.7 t -86.16 -59.66 2.23 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.841 -0.344 . . . . 1.0 111.455 -177.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 49' ' ' ILE . . . . . 0.646 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.5 pp -62.93 -18.72 21.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.13 -0.487 . . . . 0.34 111.831 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 50' ' ' LYS . . . . . 0.782 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 6.0 ptpt -82.02 -60.34 2.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.983 0.734 . . . . 1.59 112.983 -178.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 51' ' ' ASP . . . . . 0.782 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 0.6 OUTLIER -86.53 -39.59 16.07 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 114.831 1.419 . . . . 1.06 114.831 -177.508 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 52' ' ' LYS . . . . . 0.542 ' HB2' ' HA ' ' S' ' 1' ' ' MET . 5.9 tmmm? -79.59 -39.44 31.67 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.06 -0.656 . . . . 2.23 110.524 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 53' ' ' LEU . . . . . 0.559 ' HB2' ' HA ' ' S' ' 49' ' ' ILE . 2.5 mm? -81.52 -7.57 59.6 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 108.774 -0.824 . . . . 0.66 108.774 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 54' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' S' ' 50' ' ' LYS . 26.5 p -43.08 -37.19 1.89 Allowed 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.258 -1.337 . . . . 0.86 111.658 -178.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.41 -6.22 33.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.83 -0.7 . . . . 0.52 112.554 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.11 -59.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 1.13 112.602 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 57' ' ' SER . . . . . . . . . . . . . 28.5 t 56.24 86.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.833 0.349 . . . . 1.29 110.903 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 48.0 t -147.86 81.91 1.5 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.211 -0.449 . . . . 1.95 111.325 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 59' ' ' SER . . . . . 0.621 ' HB3' ' HB2' ' S' ' 3' ' ' GLN . 36.1 t -171.0 -84.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.158 -0.474 . . . . 1.28 110.813 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . 0.627 ' HB3' ' HA ' ' S' ' 3' ' ' GLN . 6.2 tpm_? -103.47 23.57 12.38 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.364 0.602 . . . . 2.56 110.388 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.97 11.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.829 -0.623 . . . . 1.1 111.652 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 62' ' ' SER . . . . . 0.42 ' H ' ' C ' ' S' ' 60' ' ' ARG . 47.7 t -56.66 -66.17 0.49 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.787 0.327 . . . . 1.67 111.141 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 80.3 p -172.8 -176.76 1.52 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.171 -0.468 . . . . 2.31 110.872 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 44.9 t80 57.02 90.8 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.03 -0.532 . . . . 6.01 111.091 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 65' ' ' THR . . . . . 0.663 HG22 ' HB ' ' S' ' 5' ' ' THR . 24.4 p -141.6 -168.86 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.885 0.374 . . . . 1.64 111.386 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . 0.614 HD11 ' HB3' ' S' ' 47' ' ' GLU . 0.9 OUTLIER -56.73 -31.04 64.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.039 -0.528 . . . . 1.83 110.375 179.711 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.192 -0.908 . . . . 3.55 110.952 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . 0.661 ' HB2' ' HB3' ' S' ' 66' ' ' LEU . 5.0 mpp? . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.979 0.419 . . . . 1.42 111.336 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 2' ' ' ASP . . . . . 0.58 ' HB3' ' N ' ' S' ' 60' ' ' ARG . 6.3 m-20 -152.22 -132.92 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.756 -0.656 . . . . 1.97 112.587 -178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 3' ' ' GLN . . . . . 0.596 ' H ' ' H ' ' S' ' 60' ' ' ARG . 53.8 tt0 -32.63 -29.59 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.98 1.844 . . . . 1.8 115.98 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 4' ' ' GLU . . . . . 0.654 ' HB2' ' HD2' ' S' ' 50' ' ' LYS . 0.4 OUTLIER -60.6 -33.01 72.12 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 118.214 -1.394 . . . . 1.37 109.698 -179.474 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 5' ' ' THR . . . . . 0.499 ' O ' ' HB3' ' S' ' 9' ' ' MET . 59.4 m -51.7 -60.7 2.87 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.684 -0.689 . . . . 1.04 109.48 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 6' ' ' ARG . . . . . 0.563 ' HD2' ' HD3' ' S' ' 60' ' ' ARG . 51.6 mtp180 -41.07 -65.93 0.38 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.843 0.683 . . . . 1.95 112.843 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 7' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -74.2 -47.53 34.9 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.041 1.126 . . . . 1.3 114.041 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 8' ' ' GLN . . . . . 0.447 ' HG3' ' HE3' ' S' ' 50' ' ' LYS . 26.0 mm-40 -80.32 -64.27 1.23 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.184 0.438 . . . . 1.34 112.184 -177.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 9' ' ' MET . . . . . 0.499 ' HB3' ' O ' ' S' ' 5' ' ' THR . 13.2 tpt -48.16 -45.9 33.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.301 0.482 . . . . 1.34 112.301 -178.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 10' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' S' ' 6' ' ' ARG . 56.8 mtpt -71.56 -42.94 67.2 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.449 -0.5 . . . . 3.19 112.237 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 11' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' S' ' 14' ' ' ALA . 57.8 t30 -78.49 -62.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.992 0.367 . . . . 1.27 111.992 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.77 -53.77 9.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.605 0.24 . . . . 0.2 110.551 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.22 -52.6 58.4 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.878 -0.786 . . . . 0.18 108.878 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 14' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' S' ' 11' ' ' ASN . . . -44.4 -49.33 9.73 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.562 -0.744 . . . . 0.17 111.902 177.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 15' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' S' ' 11' ' ' ASN . 17.4 mt-10 -67.95 -20.31 65.05 Favored 'General case' 0 C--N 1.337 0.064 0 N-CA-C 112.514 0.561 . . . . 1.28 112.514 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 16' ' ' ALA . . . . . 0.591 ' HB2' ' HD2' ' S' ' 39' ' ' ARG . . . -86.76 -31.05 21.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.702 0.763 . . . . 0.14 109.318 -177.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 17' ' ' LYS . . . . . 0.737 ' HA ' ' HB2' ' S' ' 21' ' ' HIS . 71.3 mmtt -78.4 -35.56 46.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.326 -1.307 . . . . 1.35 110.427 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 18' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' S' ' 22' ' ' ASP . 18.8 t70 -79.35 -29.51 42.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.96 -0.564 . . . . 2.14 110.586 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -87.44 -66.65 0.89 Allowed 'General case' 0 C--O 1.249 1.055 0 C-N-CA 119.272 -0.971 . . . . 2.0 111.558 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 20' ' ' VAL . . . . . 0.483 ' O ' HG13 ' S' ' 24' ' ' ILE . 2.5 t -84.07 -30.8 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 114.97 -1.014 . . . . 0.19 112.019 -177.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 21' ' ' HIS . . . . . 0.737 ' HB2' ' HA ' ' S' ' 17' ' ' LYS . 1.2 t-80 -82.97 -31.24 27.7 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 118.873 -1.131 . . . . 1.17 109.775 -178.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 22' ' ' ASP . . . . . 0.479 ' HB2' ' O ' ' S' ' 18' ' ' ASP . 15.7 t70 -55.65 -60.34 3.58 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 117.992 -1.483 . . . . 0.26 107.687 178.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -40.77 78.88 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 119.477 -0.889 . . . . 0.74 113.164 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 24' ' ' ILE . . . . . 0.909 HG21 ' HA ' ' S' ' 33' ' ' ASN . 61.2 mt -59.53 -66.33 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.142 0 N-CA-C 112.738 0.644 . . . . 0.12 112.738 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 25' ' ' GLN . . . . . 0.629 ' HA ' ' HB3' ' S' ' 29' ' ' ASP . 31.2 mt-30 -35.57 -54.14 0.69 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.919 0.866 . . . . 1.19 109.355 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -54.39 -64.84 0.7 Allowed 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 113.994 -1.457 . . . . 2.39 111.061 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.623 ' HB2' ' HD2' ' S' ' 28' ' ' LYS . 11.3 mt -93.42 -60.1 1.86 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 116.524 2.046 . . . . 0.61 116.524 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.743 ' HB3' ' HA3' ' S' ' 32' ' ' GLY . 2.4 mptp? -82.4 -8.86 59.62 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 117.538 2.422 . . . . 1.31 117.538 -172.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 29' ' ' ASP . . . . . 0.629 ' HB3' ' HA ' ' S' ' 25' ' ' GLN . 4.7 p-10 -34.22 -20.63 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.757 1.762 . . . . 2.17 115.757 -173.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 30' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' S' ' 28' ' ' LYS . 8.8 m-20 -89.02 -73.47 0.5 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.562 1.074 . . . . 2.14 111.917 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 31' ' ' VAL . . . . . 0.562 HG23 ' H ' ' S' ' 32' ' ' GLY . 1.7 m -87.96 -57.43 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 115.021 -0.99 . . . . 1.32 113.417 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.743 ' HA3' ' HB3' ' S' ' 28' ' ' LYS . . . -55.65 -14.78 7.6 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-N 115.502 -0.772 . . . . 0.19 112.404 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 33' ' ' ASN . . . . . 0.909 ' HA ' HG21 ' S' ' 24' ' ' ILE . 25.7 p-10 -50.25 -11.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.655 0.983 . . . . 2.05 113.655 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 34' ' ' LYS . . . . . 0.561 ' HG3' HG23 ' S' ' 38' ' ' VAL . 7.6 tptm -84.81 -29.48 25.35 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.214 -0.594 . . . . 1.04 110.813 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 35' ' ' ALA . . . . . 0.706 ' HB3' HD11 ' S' ' 24' ' ' ILE . . . -49.23 -38.45 26.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.441 -0.345 . . . . 0.24 111.682 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 36' ' ' ALA . . . . . 0.605 ' HB2' HD12 ' S' ' 24' ' ' ILE . . . -80.13 -22.67 41.83 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.729 0.776 . . . . 0.59 109.805 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 37' ' ' GLU . . . . . 0.552 ' HB2' ' HD2' ' S' ' 34' ' ' LYS . 16.8 mm-40 -84.94 -21.49 29.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.869 -1.059 . . . . 2.24 109.298 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 38' ' ' VAL . . . . . 0.561 HG23 ' HG3' ' S' ' 34' ' ' LYS . 74.3 t -71.05 -47.46 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 108.244 -1.021 . . . . 0.45 108.244 178.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 39' ' ' ARG . . . . . 0.591 ' HD2' ' HB2' ' S' ' 16' ' ' ALA . 1.6 tmt_? -60.71 -27.55 67.98 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.079 -1.082 . . . . 1.24 108.079 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.69 -23.59 56.18 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.846 -1.07 . . . . 0.71 110.244 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.71 -57.29 3.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.667 -0.697 . . . . 0.28 111.533 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 m -51.5 -46.92 36.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.012 -0.54 . . . . 0.36 111.636 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 43' ' ' SER . . . . . . . . . . . . . 48.3 t -54.45 -57.13 12.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.013 -0.54 . . . . 1.24 110.086 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 44' ' ' SER . . . . . . . . . . . . . 44.9 t -47.76 -39.31 17.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.487 -0.779 . . . . 1.31 111.547 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 45' ' ' THR . . . . . 0.418 ' O ' HG13 ' S' ' 49' ' ' ILE . 32.3 m -57.2 -37.75 72.65 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.144 0.497 . . . . 0.81 110.723 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 46' ' ' VAL . . . . . 0.421 ' O ' ' HG2' ' S' ' 50' ' ' LYS . 97.0 t -77.06 -63.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.555 -0.748 . . . . 0.34 110.045 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 47' ' ' GLU . . . . . 0.633 ' HB3' HD21 ' S' ' 66' ' ' LEU . 56.4 mt-10 -39.84 -23.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.21 -0.905 . . . . 2.44 112.4 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -87.36 -60.15 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.305 -0.558 . . . . 1.0 111.62 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 49' ' ' ILE . . . . . 0.608 HD12 ' N ' ' S' ' 50' ' ' LYS . 2.2 pp -57.57 -19.97 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 CA-C-O 120.95 0.405 . . . . 0.34 111.347 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 50' ' ' LYS . . . . . 0.745 ' HG3' ' H ' ' S' ' 51' ' ' ASP . 0.1 OUTLIER -78.54 -60.65 2.29 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 120.102 -0.639 . . . . 1.59 111.722 -179.318 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 51' ' ' ASP . . . . . 0.745 ' H ' ' HG3' ' S' ' 50' ' ' LYS . 8.1 t70 -86.67 -37.23 18.2 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.0 0.741 . . . . 1.06 113.0 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 52' ' ' LYS . . . . . 0.657 ' HB2' ' SD ' ' S' ' 1' ' ' MET . 23.5 ttpt -69.62 -48.58 59.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.017 0.437 . . . . 2.23 110.366 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 53' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' S' ' 49' ' ' ILE . 1.2 mm? -80.64 -6.3 58.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.875 -0.602 . . . . 0.66 110.142 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 54' ' ' SER . . . . . 0.497 ' HB2' ' O ' ' S' ' 50' ' ' LYS . 48.3 t -45.14 -50.15 11.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.987 -1.006 . . . . 0.86 111.434 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 55' ' ' GLY . . . . . . . . . . . . . . . 125.01 -17.94 7.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.958 -0.639 . . . . 0.52 112.215 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 56' ' ' GLY . . . . . . . . . . . . . . . -151.14 51.84 0.51 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.044 -0.598 . . . . 1.13 112.314 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 57' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' S' ' 51' ' ' ASP . 92.6 p -65.92 116.76 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.687 0.28 . . . . 1.29 110.929 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 58' ' ' SER . . . . . . . . . . . . . 79.7 p -171.42 14.19 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.337 -0.392 . . . . 1.95 111.422 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 59' ' ' SER . . . . . 0.489 ' HB3' ' HB2' ' S' ' 3' ' ' GLN . 67.3 m -74.58 -97.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.607 -0.27 . . . . 1.28 110.799 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . 0.596 ' H ' ' H ' ' S' ' 3' ' ' GLN . 32.4 tpt180 -74.05 74.36 1.71 Allowed 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.916 -0.401 . . . . 2.56 109.916 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.25 -7.02 47.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.372 -0.376 . . . . 1.1 111.243 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 62' ' ' SER . . . . . . . . . . . . . 59.7 m -86.54 -1.83 57.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 1.67 111.016 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -55.95 115.37 2.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 2.31 111.097 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 64' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -99.26 23.29 9.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 6.01 110.812 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 65' ' ' THR . . . . . . . . . . . . . 68.1 p -124.15 -64.35 1.14 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.136 -0.483 . . . . 1.64 111.196 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . 0.661 ' HB3' ' HB2' ' S' ' 1' ' ' MET . 5.8 mp -80.83 -48.83 11.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 1.83 110.88 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.15 -0.929 . . . . 3.55 110.826 179.902 . . . . . . . . 0 0 . 1 stop_ save_